SpectraBase Spectrum ID |
1OR7ZXouv2a |
Name |
acetic acid, [[5-(1-methylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.083746879 u |
Formula |
C14H14N4O2S |
InChI |
InChI=1S/C14H14N4O2S/c1-8(2)18-10-6-4-3-5-9(10)12-13(18)15-14(17-16-12)21-7-11(19)20/h3-6,8H,7H2,1-2H3,(H,19,20) |
InChIKey |
NKWYUHBVOXKCIL-UHFFFAOYSA-N |
Molecular Weight |
302.352 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_15227 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11210619; Lab Info: SAD; Lab Number: SAD-cor0001 |