SpectraBase Spectrum ID |
LxIOrtG8oNa |
Name |
6-Methoxy-2,2-diphenyl-7-oxabicyclo[4.1.0]hept-3-en-5-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
292.109944372 u |
Formula |
C19H16O3 |
InChI |
InChI=1S/C19H16O3/c1-21-19-16(20)12-13-18(17(19)22-19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,1H3 |
InChIKey |
MXRNAVIQLWNJRV-UHFFFAOYSA-N |
SMILES |
C12(C(C(C=3C=CC=CC3)(C=3C=CC=CC3)C=CC2=O)O1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9571 |