| SpectraBase Spectrum ID |
3EZixMmZb0e |
| Name |
1-(2-Phenethylphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.120115134 u |
| Formula |
C16H16O |
| InChI |
InChI=1S/C16H16O/c1-13(17)16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3 |
| InChIKey |
XDAVLIQWOJQCMR-UHFFFAOYSA-N |
| Molecular Weight |
224.303 g/mol |
| SMILES |
C=1(C(=O)C)C(CCC2=CC=CC=C2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827662 |
