| SpectraBase Spectrum ID |
6cqgS43Cs0W |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, 1-methylethyl 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 |
402.124942985 u |
| Formula |
C20H22N2O5S |
| InChI |
InChI=1S/C20H22N2O5S/c1-11(2)27-20(24)17-14-6-4-5-7-16(14)28-19(17)21-18(23)13-8-9-15(22(25)26)12(3)10-13/h8-11H,4-7H2,1-3H3,(H,21,23) |
| InChIKey |
SGKSLASRVCSALE-UHFFFAOYSA-N |
| Molecular Weight |
402.465 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12538 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10028481; Lab Info: PNA; Lab Number: PNA-1991705 |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, 1-methylethyl ester](/api/spectrum/6cqgS43Cs0W/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, 1-methylethyl ester")
