| SpectraBase Spectrum ID |
7ISl5fd4TDA |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-nitrophenoxy)acetyl]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 |
418.119857604 u |
| Formula |
C20H22N2O6S |
| InChI |
InChI=1S/C20H22N2O6S/c1-12(2)28-20(24)18-13-7-3-6-10-16(13)29-19(18)21-17(23)11-27-15-9-5-4-8-14(15)22(25)26/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,21,23) |
| InChIKey |
KGUALKPOCOCVOW-UHFFFAOYSA-N |
| Molecular Weight |
418.464 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14009 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10026021; Lab Info: PNA; Lab Number: PNA-1991749 |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-nitrophenoxy)acetyl]amino]-, 1-methylethyl ester](/api/spectrum/7ISl5fd4TDA/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-nitrophenoxy)acetyl]amino]-, 1-methylethyl ester")
