| SpectraBase Spectrum ID |
DuHOIqHJCnD |
| Name |
4-Hydroxy-5,5-dimethyl-1-oxido-4-phenyl-2-(p-tolyl)-1-pyrrolin-1-ium-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.136493473 u |
| Formula |
C19H19NO3 |
| InChI |
InChI=1S/C19H19NO3/c1-13-9-11-14(12-10-13)16-17(21)19(22,18(2,3)20(16)23)15-7-5-4-6-8-15/h4-12,22H,1-3H3 |
| InChIKey |
QRNOQSJHUSHGLQ-UHFFFAOYSA-N |
| Molecular Weight |
309.365 g/mol |
| SMILES |
C1([N+](=C(C(C1(C=1C=CC=CC1)O)=O)C=1C=CC(=CC1)C)[O-])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923136 |
