| SpectraBase Spectrum ID |
4leZe22LuZ3 |
| Name |
o-Toluic acid, 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.115029753 u |
| Formula |
C16H16O2 |
| InChI |
InChI=1S/C16H16O2/c1-13-7-5-6-10-15(13)16(17)18-12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3 |
| InChIKey |
XQGOBQSIFZFYGP-UHFFFAOYSA-N |
| Molecular Weight |
240.302 g/mol |
| SMILES |
C1(=CC=CC=C1)CCOC(C=1C(=CC=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872595 |
