SpectraBase Spectrum ID |
5kdvj2WOdl8 |
Name |
1,3-Benzenediol, o-(3-phenylpropionyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
242.094294308 u |
Formula |
C15H14O3 |
InChI |
InChI=1S/C15H14O3/c16-13-7-4-8-14(11-13)18-15(17)10-9-12-5-2-1-3-6-12/h1-8,11,16H,9-10H2 |
InChIKey |
FNUVUOZKISHUJB-UHFFFAOYSA-N |
Molecular Weight |
242.274 g/mol |
SMILES |
C1=C(C=CC=C1O)OC(=O)CCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867256 |