| SpectraBase Spectrum ID |
DXFulujOua4 |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino]-, methyl 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 |
365.079389772 u |
| Formula |
C14H15N5O5S |
| InChI |
InChI=1S/C14H15N5O5S/c1-24-13(21)11-8-4-2-3-5-9(8)25-12(11)16-10(20)6-18-7-15-14(17-18)19(22)23/h7H,2-6H2,1H3,(H,16,20) |
| InChIKey |
DLBYKLFUAADDJO-UHFFFAOYSA-N |
| Molecular Weight |
365.364 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8141 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9322123; Lab Info: PNA; Lab Number: PNA-NA00852 |
| Temperature |
29.85 °C |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino]-, methyl ester](/api/spectrum/DXFulujOua4/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino]-, methyl ester")
