| SpectraBase Spectrum ID |
L8MQHHGEWlD |
| Name |
benzoic acid, 2-chloro-5-[[[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]carbonothioyl]amino]-, butyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.096141415 u |
| Formula |
C21H21ClN2O3S |
| InChI |
InChI=1S/C21H21ClN2O3S/c1-2-3-13-27-20(26)17-14-16(10-11-18(17)22)23-21(28)24-19(25)12-9-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H2,23,24,25,28)/b12-9+ |
| InChIKey |
QTTZVIMVHUNOBZ-FMIVXFBMSA-N |
| Molecular Weight |
416.923 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10762 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10252542; Lab Info: LP; Lab Number: LP-3400186 |
| Temperature |
29.85 °C |
![benzoic acid, 2-chloro-5-[[[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]carbonothioyl]amino]-, butyl ester](/api/spectrum/L8MQHHGEWlD/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[[[[(2E)-1-oxo-3-phenyl-2-propenyl]amino]carbonothioyl]amino]-, butyl ester")
