SpectraBase Spectrum ID |
4GD2OWqo8p |
Name |
(Z)-1-{4-[2-(Hydroxymethyl)-1-styryl]phenyl}-1-ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.115029753 u |
Formula |
C17H16O2 |
InChI |
InChI=1S/C17H16O2/c1-13(19)15-9-7-14(8-10-15)11-17(12-18)16-5-3-2-4-6-16/h2-11,18H,12H2,1H3/b17-11+ |
InChIKey |
HUBAHLFTRPNMMC-GZTJUZNOSA-N |
Molecular Weight |
252.313 g/mol |
SMILES |
C1(\C=C\(C=2C=CC=CC2)CO)=CC=C(C(=O)C)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925136 |