| SpectraBase Spectrum ID |
BM7FcnkFahl |
| Name |
benzoic acid, 4-[[(Z)-[[1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl]thio][(Z)-methylimino]methyl]amino]-, methyl 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 |
497.062375887 u |
| Formula |
C21H18ClF2N3O5S |
| InChI |
InChI=1S/C21H18ClF2N3O5S/c1-25-20(26-13-5-3-12(4-6-13)19(30)31-2)33-16-11-17(28)27(18(16)29)14-7-9-15(10-8-14)32-21(22,23)24/h3-10,16H,11H2,1-2H3,(H,25,26) |
| InChIKey |
HQHWGWKLVYZPLZ-UHFFFAOYSA-N |
| Molecular Weight |
497.901 g/mol |
| NMR Offset |
16.0087 |
| NMR Spectrometer Frequency |
500.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4430 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9296105; Lab Info: PE; Lab Number: PE/9042309 |
![benzoic acid, 4-[[(Z)-[[1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl]thio][(Z)-methylimino]methyl]amino]-, methyl ester](/api/spectrum/BM7FcnkFahl/structure.png?h=300&w=458 "benzoic acid, 4-[[(Z)-[[1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl]thio][(Z)-methylimino]methyl]amino]-, methyl ester")
