| SpectraBase Spectrum ID |
FaTYe0lfo0Q |
| Name |
benzoic acid, 4-[[(2E)-6-[[[4-(chlorodifluoromethoxy)phenyl]amino]carbonyl]tetrahydro-3-methyl-4-oxo-2H-1,3- |
| 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/c1-27-17(28)11-16(18(29)25-13-7-9-15(10-8-13)32-21(22,23)24)33-20(27)26-14-5-3-12(4-6-14)19(30)31-2/h3-10,16H,11H2,1-2H3,(H,25,29)/b26-20+ |
| InChIKey |
KHKQCIFWWRTALX-LHLOQNFPSA-N |
| Molecular Weight |
497.901 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6133 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11220774; Lab Info: PE; Lab Number: PE-0000011 |
![benzoic acid, 4-[[(2E)-6-[[[4-(chlorodifluoromethoxy)phenyl]amino]carbonyl]tetrahydro-3-methyl-4-oxo-2H-1,3-](/api/spectrum/FaTYe0lfo0Q/structure.png?h=300&w=458 "benzoic acid, 4-[[(2E)-6-[[[4-(chlorodifluoromethoxy)phenyl]amino]carbonyl]tetrahydro-3-methyl-4-oxo-2H-1,3-")
