| SpectraBase Spectrum ID |
BNA7HldxP82 |
| Name |
4-Hydroxyisopropylphenazone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.136827826 u |
| Formula |
C14H18N2O2 |
| InChI |
InChI=1S/C14H18N2O2/c1-10-12(14(2,3)18)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9,18H,1-4H3 |
| InChIKey |
RYGJBJILXQCULN-UHFFFAOYSA-N |
| Molecular Weight |
246.310 g/mol |
| SMILES |
C1(C(O)(C)C)=C(N(N(C1=O)c1ccccc1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979854 |
