| SpectraBase Spectrum ID |
CmXKaMJT5ks |
| Name |
Diethyl 1-(phenylacetyl)-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.137221747 u |
| Formula |
C17H20N2O5 |
| InChI |
InChI=1S/C17H20N2O5/c1-3-23-16(21)13-11-14(17(22)24-4-2)19(18-13)15(20)10-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3 |
| InChIKey |
KDCOPGBKCGHLBT-UHFFFAOYSA-N |
| Molecular Weight |
332.356 g/mol |
| SMILES |
C1(C(OCC)=O)=NN(C(=O)CC2=CC=CC=C2)C(C(=O)OCC)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962441 |
