| SpectraBase Spectrum ID |
BQfo5eVng0w |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[(2-pyrimidinylthio)acetyl]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 |
391.102433893 u |
| Formula |
C18H21N3O3S2 |
| InChI |
InChI=1S/C18H21N3O3S2/c1-3-24-17(23)15-12-6-5-11(2)9-13(12)26-16(15)21-14(22)10-25-18-19-7-4-8-20-18/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,21,22) |
| InChIKey |
DPMWYJRSYFYCEW-UHFFFAOYSA-N |
| Molecular Weight |
391.504 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1873 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9213111; Lab Info: PNA; Lab Number: PNA-NA00008 |
| Temperature |
29.85 °C |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[(2-pyrimidinylthio)acetyl]amino]-, ethyl ester](/api/spectrum/BQfo5eVng0w/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[(2-pyrimidinylthio)acetyl]amino]-, ethyl ester")
