| SpectraBase Spectrum ID |
2iRDz61gSZb |
| Name |
1-(p-Acetoxyphenyl)-2,3-dimethyl-4-(prop-2-yl)-2,5-dihydropyrazole-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.147392509 u |
| Formula |
C16H20N2O3 |
| InChI |
InChI=1S/C16H20N2O3/c1-10(2)15-11(3)17(5)18(16(15)20)13-6-8-14(9-7-13)21-12(4)19/h6-10H,1-5H3 |
| InChIKey |
OGVIXQFLMXTJBQ-UHFFFAOYSA-N |
| SMILES |
C=1(C(N(C2=CC=C(OC(=O)C)C=C2)N(C1C)C)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835962 |
