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 |