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1H nuclear magnetic resonance spectroscopy (1H NMR) ()
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.29 (d, J = 2.4 Hz, 1H), 6.19 (d, J = 2.3 Hz, 1H), 5.47 (ps, 1H), 4.57 (quint, J = 7.4 Hz, 1H), 3.94 (ps, 1H), 2.18–2.04 (m, 4H), 1.92–1.82 (m, 2H), 1.72–1.62 (m, 2H), 1.34–1.21 (m, 12H)
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
infrared absorption spectroscopy (IR) ()
No full textdataset for infrared absorption spectroscopy (IR)
IR (ATR, ṽ) = 3128 (w), 1713 (w), 1696 (vs), 1618 (m), 1601 (s), 1544 (w), 1517 (s), 1493 (w), 1469 (m), 1439 (s), 1424 (w), 1397 (m), 1368 (w), 1353 (w), 1337 (w), 1313 (vs), 1298 (s), 1285 (vs), 1264 (s), 1211 (s), 1179 (m), 1164 (s), 1140 (w), 1115 (vs), 1082 (vs), 1021 (s), 1009 (vs), 1000 (vs), 977 (m), 960 (m), 943 (m), 878 (w), 858 (m), 846 (vs), 832 (s), 769 (vs), 710 (s), 696 (m), 686 (s), 652 (m), 633 (w), 611 (w), 598 (s), 565 (s), 534 (w), 521 (w), 509 (s), 475 (m), 458 (w), 422 (w), 415 (w), 390 (w), 381 (w) cm–1
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-CNHRLRYEDL-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full textIn a vial, 3-azido-1-(4-bromobenzyl)pyrazole (50.0 mg, 180 μmol, 1.00 equiv) was dissolved in THF (8.00 mL) and water (8.00 mL) (1:1) and copper;sulfate (5.74 mg, 36.0 μmol, 0.20 equiv), sodium ascorbate (35.6 mg, 180 μmol, 1.00 equiv) and methyl prop-2-ynoate (19.6 mg, 20.8 μL, 234 μmol, 1.30 equiv) were added. The reaction mixture was stirred at 50 °C for 16 hours. For work up the reaction mixture was diluted in water and extracted three times with methylene chloride. The combined organic phase was washed with water and brine, dried over Na2SO4 and filtered
infrared absorption spectroscopy (IR) ()
No full textdataset for infrared absorption spectroscopy (IR)
IR (ATR, ṽ) = 3149 (w), 3111 (w), 3065 (w), 3009 (vw), 2956 (w), 2927 (w), 2837 (w), 1616 (w), 1561 (w), 1541 (m), 1520 (w), 1494 (vs), 1456 (w), 1439 (m), 1425 (w), 1404 (w), 1288 (m), 1251 (s), 1227 (s), 1196 (w), 1184 (w), 1171 (s), 1123 (w), 1106 (w), 1064 (m), 1048 (m), 1024 (vs), 1009 (m), 973 (m), 936 (w), 836 (vs), 799 (vs), 751 (vs), 704 (w), 696 (w), 653 (w), 637 (w), 628 (w), 619 (m), 585 (w), 526 (s), 494 (s), 450 (m), 424 (w), 409 (w), 398 (w), 391 (w), 382 (w) cm–1
mass spectrometry (MS) ()
No full textdataset for mass spectrometry (MS)
MS (FAB, 3-NBA), m/z (%): 410/412 (100/97) [M]+1, 381/383 (12/13), 307 (13), 212 (70), 171/169 (26/27), 154 (62), 136 (45), 121 (12), 107 (13), 89 (16).HRMS–FAB (C19H17ON5Br) (m/z): [M + H]+ Calcd 410.0611; Found 410.0610
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
heteronuclear single quantum coherence (HSQC) ()
No full textdataset for heteronuclear single quantum coherence (HSQC
heteronuclear multiple bond coherence (HMBC) ()
No full textdataset for heteronuclear multiple bond coherence (HMBC
1H nuclear magnetic resonance spectroscopy (1H NMR) ()
No full textdataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 11.13 (s, 1H), 8.26 (s, 1H), 6.49 (s, 1H), 5.28 (s, 2H), 2.39 (s, 3H), 2.08 (s, 3H)