SpectraBase Spectrum ID |
8XcTyPOi9Oo |
Name |
4-Phenyl-3-(phenylmethyl)-2(5H)-furanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.099379689 u |
Formula |
C17H14O2 |
InChI |
InChI=1S/C17H14O2/c18-17-15(11-13-7-3-1-4-8-13)16(12-19-17)14-9-5-2-6-10-14/h1-10H,11-12H2 |
InChIKey |
KJGOARVXLMFYCA-UHFFFAOYSA-N |
Molecular Weight |
250.297 g/mol |
SMILES |
C1(OCC(=C1CC1=CC=CC=C1)C1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891665 |