SpectraBase Spectrum ID |
J6mWFEZqQ7R |
Name |
(2S)-3,3-Diphenyl-2-oxiranecarboxaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.083729624 u |
Formula |
C15H12O2 |
InChI |
InChI=1S/C15H12O2/c16-11-14-15(17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H/t14-/m1/s1 |
InChIKey |
LRCOJUJUDZXWJO-CQSZACIVSA-N |
Molecular Weight |
224.259 g/mol |
SMILES |
C1(O[C@@]1(C=O)[H])(C1=CC=CC=C1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894016 |