| SpectraBase Spectrum ID |
2PYAqyKOmuj |
| Name |
Benzoic acid, 3-methoxy-, 4-acetylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.089208927 u |
| Formula |
C16H14O4 |
| InChI |
InChI=1S/C16H14O4/c1-11(17)12-6-8-14(9-7-12)20-16(18)13-4-3-5-15(10-13)19-2/h3-10H,1-2H3 |
| InChIKey |
NCEOXTSCBGXDGQ-UHFFFAOYSA-N |
| SMILES |
C(C1=CC(OC)=CC=C1)(OC=1C=CC(C(=O)C)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958396 |
