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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
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-PKNOMBYYAW-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ
No full textIn a vial, 3-azido-1-benzyl-5-methyl-pyrazole (100 mg, 469 μmol, 1.00 equiv) was dissolved in THF (8.00 mL) and water (8.00 mL) (1:1) and copper;sulfate (15.0 mg, 93.8 μmol, 0.200 equiv), sodium ascorbate (92.9 mg, 469 μmol, 1.00 equiv) and hex-1-yne (50.1 mg, 69.6 μL, 610 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
13C nuclear magnetic resonance spectroscopy (13C NMR) ()
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 166.2 (Cq), 148.1 (Cq), 146.4 (Cq), 138.2 (Cq), 136.9 (CH), 131.0 (Cq), 130.5 (2C, CH), 129.5 (Cq), 128.9 (2C, CH), 128.8 (CH), 128.1 (2C, CH), 126.0 (2C, CH), 117.5 (CH), 111.1 (Cq), 85.8 (Cq), 57.0 (CH2), 52.3 (CH3)
infrared absorption spectroscopy (IR) ()
No full textdataset for infrared absorption spectroscopy (IR)
IR (ATR, ṽ) = 3150 (w), 3105 (w), 3085 (w), 3053 (w), 3019 (w), 3000 (w), 2958 (w), 2922 (w), 2853 (w), 2238 (w), 1625 (m), 1596 (s), 1560 (s), 1543 (vs), 1482 (w), 1462 (s), 1449 (s), 1435 (s), 1404 (w), 1361 (w), 1351 (w), 1340 (w), 1315 (s), 1282 (w), 1239 (m), 1205 (w), 1179 (w), 1140 (w), 1119 (vs), 1071 (w), 1041 (s), 1017 (vs), 1004 (m), 989 (s), 941 (w), 911 (w), 888 (w), 873 (w), 858 (w), 847 (vs), 810 (m), 790 (w), 778 (s), 759 (vs), 704 (m), 690 (vs), 664 (s), 643 (w), 629 (w), 616 (w), 591 (w), 579 (s), 535 (w), 530 (w), 509 (s), 497 (m), 482 (w), 441 (w), 402 (w), 375 (w) cm–1
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
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 [7.26 ppm], ppm) δ = 7.64 (s, 1H), 7.31–7.27 (m, 2H), 7.07–7.03 (m, 2H), 5.41 (sept, J = 6.7 Hz, 1H), 5.19 (s, 2H), 4.03 (sept, J = 6.6 Hz, 1H), 1.44 (d, J = 6.6 Hz, 6H), 1.24 (d, J = 6.8 Hz, 6H)
13C nuclear magnetic resonance spectroscopy (13C NMR) ()
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 162.3 (d, J = 246.6 Hz, Cq), 154.5 (Cq), 142.3 (CH), 132.1 (d, J = 3.1 Hz, Cq), 129.5 (d, J = 7.7 Hz, CH, 2C), 115.6 (Cq), 115.5 (d, J = 21.6 Hz, CH, 2C), 77.8 (Cq), 51.3 (CH2), 51.3 (CH), 48.0 (CH), 23.0 (CH3, 2C), 18.8 (CH3, 2C)