| SpectraBase Spectrum ID |
30Ir3nMfU2Z |
| Name |
Methyl 5-(4-acetoxyphenyl)-3-oxo-2,3-dihydro-1H-pyrazole-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.074621489 u |
| Formula |
C13H12N2O5 |
| InChI |
InChI=1S/C13H12N2O5/c1-8(16)20-10-5-3-9(4-6-10)11-7-12(17)14-15(11)13(18)19-2/h3-7H,1-2H3,(H,14,17) |
| InChIKey |
CNBZHVWJKFJDEK-UHFFFAOYSA-N |
| SMILES |
C=1(N(NC(C1)=O)C(=O)OC)C1=CC=C(OC(=O)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934276 |
