| SpectraBase Spectrum ID |
IBDTexOy7qD |
| Name |
4-((4,5-Dihydro-1-phenyl-3-carboethoxy-5-oxopyrazol-4-ylidene)hydrazino)-1-carboethoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.143369755 u |
| Formula |
C21H20N4O5 |
| InChI |
InChI=1S/C21H20N4O5/c1-3-29-20(27)14-10-12-15(13-11-14)22-23-17-18(21(28)30-4-2)24-25(19(17)26)16-8-6-5-7-9-16/h5-13,22H,3-4H2,1-2H3/b23-17+ |
| InChIKey |
KUVXPWFMQVJTLJ-HAVVHWLPSA-N |
| Molecular Weight |
408.414 g/mol |
| SMILES |
C=1(\C(C(N(N1)C=1C=CC=CC1)=O)=N/NC=1C=CC(C(=O)OCC)=CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945848 |
