| SpectraBase Spectrum ID |
1G5bVWtJ2be |
| Name |
3-thiophenecarboxylic acid, 5-ethyl-2-[[2-(hexahydro-1H-azepin-1-yl)-5-nitrobenzoyl]amino]-, ethyl 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 |
445.167142150 u |
| Formula |
C22H27N3O5S |
| InChI |
InChI=1S/C22H27N3O5S/c1-3-16-14-18(22(27)30-4-2)21(31-16)23-20(26)17-13-15(25(28)29)9-10-19(17)24-11-7-5-6-8-12-24/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,23,26) |
| InChIKey |
QCBSBZUXOJYAHD-UHFFFAOYSA-N |
| Molecular Weight |
445.534 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8083 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9291051; Lab Info: DS; Lab Number: DS-0001036 |
| Temperature |
29.85 °C |
![ethyl 5-ethyl-2-[(2-hexahydro-1H-azepin-1-yl-5-nitrobenzoyl)amino]-3-thiophenecarboxylate](/api/spectrum/1G5bVWtJ2be/structure.png?h=300&w=458 "ethyl 5-ethyl-2-[(2-hexahydro-1H-azepin-1-yl-5-nitrobenzoyl)amino]-3-thiophenecarboxylate")
