| SpectraBase Spectrum ID |
BGa895RAGXB |
| Name |
benzo[b]thiophene-3-carboxylic acid, 2-[(2-chloro-4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-, methyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.039020460 u |
| Formula |
C17H15ClN2O5S |
| InChI |
InChI=1S/C17H15ClN2O5S/c1-25-17(22)14-11-4-2-3-5-13(11)26-16(14)19-15(21)10-7-6-9(20(23)24)8-12(10)18/h6-8H,2-5H2,1H3,(H,19,21) |
| InChIKey |
ASPLMPZYZVDJNL-UHFFFAOYSA-N |
| Molecular Weight |
394.829 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13565 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10024091; Lab Info: PNA; Lab Number: PNA-1991206 |
![benzo[b]thiophene-3-carboxylic acid, 2-[(2-chloro-4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-, methyl ester](/api/spectrum/BGa895RAGXB/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 2-[(2-chloro-4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-, methyl ester")
