SpectraBase Spectrum ID |
3YZhXB1Y1sK |
Name |
2'-Hydroxy-3-phenylpropiophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.115029753 u |
Formula |
C16H16O2 |
InChI |
InChI=1S/C16H16O2/c1-12(13-7-3-2-4-8-13)11-16(18)14-9-5-6-10-15(14)17/h2-10,12,17H,11H2,1H3 |
InChIKey |
XMLDQNJLQWSEAS-UHFFFAOYSA-N |
Molecular Weight |
240.302 g/mol |
SMILES |
OC1=CC=CC=C1C(CC(C=1C=CC=CC1)C)=O |
Spectrum/Structure Validation Score (Raman) |
0.915527 |