| SpectraBase Spectrum ID |
IoOAucOnCiQ |
| Name |
3-Acetyl-2-methoxy-4-methyl-benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-7-5-6-9(12(14)16-4)11(15-3)10(7)8(2)13/h5-6H,1-4H3 |
| InChIKey |
SDYUDVXOJQKHPR-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| SMILES |
C=1(C(=C(C(=O)C)C(=CC1)C)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937797 |
