| SpectraBase Spectrum ID |
Eqt6bCdPbRn |
| Name |
3-Acetyl-2,4-dihydroxy-6-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 |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-5-4-7(13)9(6(2)12)10(14)8(5)11(15)16-3/h4,13-14H,1-3H3 |
| InChIKey |
UMIALPHSWWCBPR-UHFFFAOYSA-N |
| Molecular Weight |
224.212 g/mol |
| SMILES |
CC1=CC(O)=C(C(C)=O)C(=C1C(OC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827873 |
