| SpectraBase Spectrum ID |
EqcNPz5mEEa |
| Name |
benzoic acid, 4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-,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 |
350.083746879 u |
| Formula |
C18H14N4O2S |
| InChI |
InChI=1S/C18H14N4O2S/c1-24-17(23)12-8-6-11(7-9-12)10-25-18-20-16-15(21-22-18)13-4-2-3-5-14(13)19-16/h2-9H,10H2,1H3,(H,19,20,22) |
| InChIKey |
KXWVTMMCWKUNBV-UHFFFAOYSA-N |
| Molecular Weight |
350.396 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17909 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240290; Lab Info: SAD; Lab Number: 25 |
![benzoic acid, 4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-,methyl ester](/api/spectrum/EqcNPz5mEEa/structure.png?h=300&w=458 "benzoic acid, 4-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-,methyl ester")
