SpectraBase Spectrum ID |
46lsuutmvij |
Name |
ethyl 4-[({[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
459.136510727 u |
Formula |
C24H21N5O3S |
InChI |
InChI=1S/C24H21N5O3S/c1-2-32-23(31)18-8-10-19(11-9-18)26-21(30)16-33-24-28-27-22(17-12-14-25-15-13-17)29(24)20-6-4-3-5-7-20/h3-15H,2,16H2,1H3,(H,26,30) |
InChIKey |
LTDXNSKOZZSAOW-UHFFFAOYSA-N |
Molecular Weight |
459.524 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_5899 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12319420 |