| SpectraBase Spectrum ID |
1zPUPVjFeHd |
| Name |
1,4-benzenedicarboxylic acid, 2-[[(hexahydro-1H-azepin-1-yl)carbonothioyl]amino]-, dimethyl 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 |
350.130028366 u |
| Formula |
C17H22N2O4S |
| InChI |
InChI=1S/C17H22N2O4S/c1-22-15(20)12-7-8-13(16(21)23-2)14(11-12)18-17(24)19-9-5-3-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,24) |
| InChIKey |
DEKWHZYIHMSWLA-UHFFFAOYSA-N |
| Molecular Weight |
350.433 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_1014 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13239598 |
![1,4-benzenedicarboxylic acid, 2-[[(hexahydro-1H-azepin-1-yl)carbonothioyl]amino]-, dimethyl ester](/api/spectrum/1zPUPVjFeHd/structure.png?h=300&w=458 "1,4-benzenedicarboxylic acid, 2-[[(hexahydro-1H-azepin-1-yl)carbonothioyl]amino]-, dimethyl ester")
