SpectraBase Spectrum ID |
DtNxq29WEsE |
Name |
1-(4-Methoxy-2-oxidanyl-phenyl)-3-(4-methoxyphenyl)-2-oxidanyl-propan-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.115423675 u |
Formula |
C17H18O5 |
InChI |
InChI=1S/C17H18O5/c1-21-12-5-3-11(4-6-12)9-16(19)17(20)14-8-7-13(22-2)10-15(14)18/h3-8,10,16,18-19H,9H2,1-2H3 |
InChIKey |
PPOABILDHKLUET-UHFFFAOYSA-N |
SMILES |
C=1(C(C(CC=2C=CC(=CC2)OC)O)=O)C(=CC(=CC1)OC)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962635 |