| SpectraBase Spectrum ID |
3kSSvf9Do5r |
| Name |
ethyl 4-[({[4-methyl-5-(3-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 |
397.120860663 u |
| Formula |
C19H19N5O3S |
| InChI |
InChI=1S/C19H19N5O3S/c1-3-27-18(26)13-6-8-15(9-7-13)21-16(25)12-28-19-23-22-17(24(19)2)14-5-4-10-20-11-14/h4-11H,3,12H2,1-2H3,(H,21,25) |
| InChIKey |
IULALXWEVZWNNM-UHFFFAOYSA-N |
| Molecular Weight |
397.453 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_5901 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12319422 |
![ethyl 4-[({[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate](/api/spectrum/3kSSvf9Do5r/structure.png?h=300&w=458 "ethyl 4-[({[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate")
