| SpectraBase Spectrum ID |
9aQDWAl8V4w |
| Name |
1-Phenyl-1,8A-dihydro-[1,2,4]triazolo[4,3-A]pyridin-3,6-dicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.137556100 u |
| Formula |
C18H19N3O4 |
| InChI |
InChI=1S/C18H19N3O4/c1-3-24-17(22)13-10-11-15-20(12-13)16(18(23)25-4-2)19-21(15)14-8-6-5-7-9-14/h5-12,15H,3-4H2,1-2H3 |
| InChIKey |
PRBVUHFEVAQEGJ-UHFFFAOYSA-N |
| Molecular Weight |
341.367 g/mol |
| SMILES |
C12C=CC(=CN2C(C(OCC)=O)=NN1C1=CC=CC=C1)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910209 |
![1-Phenyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3,6-dicarboxylic acid, diethyl ester](/api/spectrum/9aQDWAl8V4w/structure.png?h=300&w=458 "1-Phenyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3,6-dicarboxylic acid, diethyl ester")
