| SpectraBase Spectrum ID |
LT7bHUq9VX4 |
| Name |
4-Benzyl-3-isopropoxy-5-keto-1,2,4-triazole-1-carboxylic acid isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.153206164 u |
| Formula |
C16H21N3O4 |
| InChI |
InChI=1S/C16H21N3O4/c1-11(2)22-14-17-19(16(21)23-12(3)4)15(20)18(14)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3 |
| InChIKey |
IEXGYTNDCUMLKO-UHFFFAOYSA-N |
| Molecular Weight |
319.361 g/mol |
| SMILES |
C1(N(N=C(N1CC=1C=CC=CC1)OC(C)C)C(OC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95519 |
