| SpectraBase Spectrum ID |
IrgMffyhulB |
| Name |
ethyl 4-[({[4-ethyl-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 |
411.136510727 u |
| Formula |
C20H21N5O3S |
| InChI |
InChI=1S/C20H21N5O3S/c1-3-25-18(15-6-5-11-21-12-15)23-24-20(25)29-13-17(26)22-16-9-7-14(8-10-16)19(27)28-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,26) |
| InChIKey |
IUUMUQPVDXYJFR-UHFFFAOYSA-N |
| Molecular Weight |
411.480 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_5902 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12319423 |
![ethyl 4-[({[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate](/api/spectrum/IrgMffyhulB/structure.png?h=300&w=458 "ethyl 4-[({[4-ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate")
