| SpectraBase Spectrum ID |
Ai96bhDIQoJ |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.108581901 u |
| Formula |
C21H21N5O3S2 |
| InChI |
InChI=1S/C21H21N5O3S2/c1-2-10-26-18(13-6-5-9-22-11-13)24-25-21(26)30-12-16(27)23-19-17(20(28)29)14-7-3-4-8-15(14)31-19/h2,5-6,9,11H,1,3-4,7-8,10,12H2,(H,23,27)(H,28,29) |
| InChIKey |
DIBXIWBAKLSMSA-UHFFFAOYSA-N |
| Molecular Weight |
455.551 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14767 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10311807; Lab Info: SAD; Lab Number: NMR/10290838 |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-](/api/spectrum/Ai96bhDIQoJ/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-")
