| SpectraBase Spectrum ID |
HqmsaxTGL2d |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-pyrimidinylthio)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 |
391.102433893 u |
| Formula |
C18H21N3O3S2 |
| InChI |
InChI=1S/C18H21N3O3S2/c1-11(2)24-17(23)15-12-6-3-4-7-13(12)26-16(15)21-14(22)10-25-18-19-8-5-9-20-18/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,21,22) |
| InChIKey |
DFJDTTWGSOYBOW-UHFFFAOYSA-N |
| Molecular Weight |
391.504 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5353 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9243659; Lab Info: PNA; Lab Number: PNA-NA00247 |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-pyrimidinylthio)acetyl]amino]-, 1-methylethyl ester](/api/spectrum/HqmsaxTGL2d/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(2-pyrimidinylthio)acetyl]amino]-, 1-methylethyl ester")
