| SpectraBase Spectrum ID |
A0kZldokdM3 |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]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 |
394.113332929 u |
| Formula |
C17H22N4O3S2 |
| InChI |
InChI=1S/C17H22N4O3S2/c1-4-24-16(23)14-11-6-5-10(2)7-12(11)26-15(14)19-13(22)8-25-17-20-18-9-21(17)3/h9-10H,4-8H2,1-3H3,(H,19,22) |
| InChIKey |
CXQWUWGTACWVBZ-UHFFFAOYSA-N |
| Molecular Weight |
394.508 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2154 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9223662; Lab Info: PNA; Lab Number: PNA-NA00091 |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, ethyl ester](/api/spectrum/A0kZldokdM3/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-6-methyl-2-[[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, ethyl ester")
