| SpectraBase Spectrum ID |
Esy2Ahadd37 |
| Name |
benzoic acid, 2-[[2-chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.085970653 u |
| Formula |
C20H21ClN2O5S |
| InChI |
InChI=1S/C20H21ClN2O5S/c21-17-10-9-14(29(27,28)23-11-5-1-2-6-12-23)13-16(17)19(24)22-18-8-4-3-7-15(18)20(25)26/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,22,24)(H,25,26) |
| InChIKey |
JQRCGDJYWZKQSE-UHFFFAOYSA-N |
| Molecular Weight |
436.910 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_21 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8047269; Lab Info: SP; Lab Number: SP-0002023 |
| Temperature |
29.85 °C |
![benzoic acid, 2-[[2-chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-](/api/spectrum/Esy2Ahadd37/structure.png?h=300&w=458 "benzoic acid, 2-[[2-chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-")
