| SpectraBase Spectrum ID |
AjSdzB4fo2u |
| Name |
benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[(3-methyl-4-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 |
416.140593050 u |
| Formula |
C21H24N2O5S |
| InChI |
InChI=1S/C21H24N2O5S/c1-4-13-6-8-15-17(11-13)29-20(18(15)21(25)28-5-2)22-19(24)14-7-9-16(23(26)27)12(3)10-14/h7,9-10,13H,4-6,8,11H2,1-3H3,(H,22,24) |
| InChIKey |
SWQZUTJVKKCBHN-UHFFFAOYSA-N |
| Molecular Weight |
416.492 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13589 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10020004; Lab Info: PNA; Lab Number: PNA-1991450 |
![benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, ethyl ester](/api/spectrum/AjSdzB4fo2u/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, ethyl ester")
