| SpectraBase Spectrum ID |
7vBXMEJX5Ll |
| Name |
(3-Acetyl-4-methoxyphenyl)ethyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-9(14)12-8-11(4-5-13(12)16-3)6-7-17-10(2)15/h4-5,8H,6-7H2,1-3H3 |
| InChIKey |
PYIHMQLSWPMEDY-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C=1(C(=O)C)C(=CC=C(C1)CCOC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897855 |
