| SpectraBase Spectrum ID |
9E8lOuXusq0 |
| Name |
2,3,6-Trimethylphenyl-.beta.-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.146329882 u |
| Formula |
C18H20O2 |
| InChI |
InChI=1S/C18H20O2/c1-13-9-10-14(2)18(15(13)3)20-17(19)12-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3 |
| InChIKey |
GDBGPBONMXBCPI-UHFFFAOYSA-N |
| SMILES |
C1=CC(=CC=C1)CCC(OC=1C(=CC=C(C1C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824544 |
