| SpectraBase Spectrum ID |
H3dhSI7z2Rx |
| Name |
1-(2-p-Toluoylphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.099379689 u |
| Formula |
C16H14O2 |
| InChI |
InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)16(18)15-6-4-3-5-14(15)12(2)17/h3-10H,1-2H3 |
| InChIKey |
IQZWUOWMFVUNNF-UHFFFAOYSA-N |
| Molecular Weight |
238.286 g/mol |
| SMILES |
C=1(C(C2=CC=C(C=C2)C)=O)C(C(=O)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893919 |
