| SpectraBase Spectrum ID |
LyOyRVObblb |
| Name |
(3S,4S)-2,2-Dimethyl-1-oxido-5-phenyl-3-(p-tolyl)-1-pyrrolin-1-ium-3,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.152143537 u |
| Formula |
C19H21NO3 |
| InChI |
InChI=1S/C19H21NO3/c1-13-9-11-15(12-10-13)19(22)17(21)16(20(23)18(19,2)3)14-7-5-4-6-8-14/h4-12,17,21-22H,1-3H3/t17-,19+/m0/s1 |
| InChIKey |
LPDZIAFXFWTOHX-PKOBYXMFSA-N |
| Molecular Weight |
311.381 g/mol |
| SMILES |
C1([N+](=C([C@@]([C@@]1(C=1C=CC(=CC1)C)O)(O)[H])C=1C=CC=CC1)[O-])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91362 |
