SpectraBase Spectrum ID |
4QNVsnDej5n |
Name |
2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.068096814 u |
Formula |
C12H12N4O2S |
InChI |
InChI=1S/C12H12N4O2S/c1-7(10(17)18)19-12-14-13-11-15(2)8-5-3-4-6-9(8)16(11)12/h3-7H,1-2H3,(H,17,18) |
InChIKey |
GAHHAMPYRNHBBX-UHFFFAOYSA-N |
Molecular Weight |
276.314 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_5274 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12318581 |