Chemotion-Repository
Not a member yet
22886 research outputs found
Sort by
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 = 158.4, 143.9, 93.2, 48.8, 45.9, 23.8 (2C), 19.2 (2C), 12.4. Impurities: This spectrum contains impurities at 101.2 ppm and 13.4 ppm due to an unknown by-product
13C nuclear magnetic resonance spectroscopy (13C NMR) (1-benzyl-5-[(E)-[di(propan-2-yl)amino]diazenyl]pyrazole-4-carbonitrile)
No full textdataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 154.6 (Cq), 142.3 (CH), 136.3 (Cq), 128.6 (CH, 2C), 127.8 (CH), 127.7 (CH, 2C), 115.8 (Cq), 77.7 (Cq), 52.1 (CH2), 51.3 (CH), 48.0 (CH), 23.1 (CH3, 2C), 18.8 (CH3, 2C)
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
distortionless enhancement with polarization transfer (DEPT) ()
No full textdataset for distortionless enhancement with polarization transfer (DEPT
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 = 8.00–7.97 (m, 2H), 7.67 (s, 1H), 7.31–7.28 (m, 2H), 5.42 (s, 2H), 5.12 (sept, J = 7.0 Hz, 1H), 4.09 (sept, J = 6.6 Hz, 1H), 3.90 (s, 3H), 1.45 (d, J = 6.6 Hz, 6H), 1.24 (ps, 6H)
heteronuclear single quantum coherence (HSQC) ()
No full textdataset for heteronuclear single quantum coherence (HSQC
Short-RInChIKey=SA-FUHFF-UHFFFADPSC-ZACAHENACG-UHFFFADPSC-NUHFF-NJTWA-NUHFF-ZZZ
No full text5-[(~{E})-(Diisopropylamino)azo]-1~{H}-pyrazole-4-carbonitrile (77.8 mg, 353 μmol, 1.00 equiv) was dissolved in DMSO (3.0 mL) and cesium carbonate (138 mg, 424 μmol, 1.20 equiv) was added. The reaction mixture was cooled to 0 °C and methyl 4-(bromomethyl)benzoate (162 mg, 706 μmol, 2.00 equiv) was slowly added. After the addition, the reaction mixture was slowly warmed to 21 °C and stirred for 2 days at this temperature. For work up, ice-water was added to the reaction mixture. The aqueous phase was extracted three times with ethyl acetate and 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) = 3135 (w), 2227 (w), 1605 (w), 1584 (w), 1560 (w), 1551 (m), 1534 (m), 1510 (s), 1485 (s), 1445 (m), 1415 (w), 1383 (s), 1351 (m), 1315 (w), 1293 (w), 1232 (m), 1181 (w), 1130 (w), 1103 (w), 1061 (w), 1023 (s), 982 (w), 970 (w), 941 (m), 919 (w), 841 (vs), 783 (m), 772 (vs), 727 (w), 708 (m), 694 (vs), 683 (m), 650 (w), 626 (w), 584 (m), 572 (w), 544 (s), 520 (s), 469 (w), 435 (w) cm–1
