| SpectraBase Spectrum ID |
2uA5PSZlCWC |
| Name |
benzoic acid, 2-chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 4-methoxyphenyl 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 |
423.090721681 u |
| Formula |
C20H22ClNO5S |
| InChI |
InChI=1S/C20H22ClNO5S/c1-26-15-6-8-16(9-7-15)27-20(23)18-14-17(10-11-19(18)21)28(24,25)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3 |
| InChIKey |
HMALMXGCUCEVLA-UHFFFAOYSA-N |
| Molecular Weight |
423.911 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_75 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8045736; Lab Info: SP; Lab Number: SP-0002021 |
| Temperature |
29.85 °C |
![benzoic acid, 2-chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 4-methoxyphenyl ester](/api/spectrum/2uA5PSZlCWC/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-, 4-methoxyphenyl ester")
