| SpectraBase Spectrum ID |
BtaUcueIzVE |
| Name |
2,3-Dimethyl-4-hydroxy-1-(4-hydroxy phenyl)-3-pyrazoline-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.084792251 u |
| Formula |
C11H12N2O3 |
| InChI |
InChI=1S/C11H12N2O3/c1-7-10(15)11(16)13(12(7)2)8-3-5-9(14)6-4-8/h3-6,14-15H,1-2H3 |
| InChIKey |
ZXTYDPBZSLDXIN-UHFFFAOYSA-N |
| Molecular Weight |
220.228 g/mol |
| SMILES |
C=1(N(N(C(C1O)=O)C=1C=CC(=CC1)O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871617 |
