SpectraBase Spectrum ID |
CdtkIO5S3Jh |
Name |
2,4-Dihydroxyphenyl-3-phenylpropyl ketone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.109944372 u |
Formula |
C16H16O3 |
InChI |
InChI=1S/C16H16O3/c17-13-9-10-14(16(19)11-13)15(18)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,17,19H,4,7-8H2 |
InChIKey |
PJWJGLYLKAYDEO-UHFFFAOYSA-N |
Molecular Weight |
256.301 g/mol |
SMILES |
C1(=CC=C(C=C1O)O)C(CCCC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885592 |