| SpectraBase Spectrum ID |
AYy8JRpg7q |
| Name |
benzoic acid, 4-[[[[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]amino]carbonothioyl]amino]-, ethyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.107910767 u |
| Formula |
C19H19F3N4O4S |
| InChI |
InChI=1S/C19H19F3N4O4S/c1-2-30-17(27)12-3-6-14(7-4-12)25-18(31)24-10-9-23-15-8-5-13(19(20,21)22)11-16(15)26(28)29/h3-8,11,23H,2,9-10H2,1H3,(H2,24,25,31) |
| InChIKey |
OLHFBTBNTAADGQ-UHFFFAOYSA-N |
| Molecular Weight |
456.440 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8598 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10210276; Lab Info: PE; Lab Number: PE-0790104 |
![benzoic acid, 4-[[[[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]amino]carbonothioyl]amino]-, ethyl ester](/api/spectrum/AYy8JRpg7q/structure.png?h=300&w=458 "benzoic acid, 4-[[[[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]amino]carbonothioyl]amino]-, ethyl ester")
