| SpectraBase Spectrum ID |
De2ZzMDm3c1 |
| Name |
(2S)-1-Phenyl-2-hydroxy-2-(3,4-methylendioxyphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.073558862 u |
| Formula |
C15H12O4 |
| InChI |
InChI=1S/C15H12O4/c16-14(10-4-2-1-3-5-10)15(17)11-6-7-12-13(8-11)19-9-18-12/h1-8,15,17H,9H2/t15-/m0/s1 |
| InChIKey |
AQPHGWNFZHUCIC-HNNXBMFYSA-N |
| Molecular Weight |
256.257 g/mol |
| SMILES |
C([C@](C=1C=C2OCOC2=CC1)(O)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963994 |
