| SpectraBase Compound ID | Ea2efaBgBwA |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13) |
| InChIKey | LHVJUPHCLWIPLZ-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9942YOZdk26 |
|---|---|
| Name | 3-Acetyloxy-2-methylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.057908798 u |
| Formula | C10H10O4 |
| InChI | InChI=1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13) |
| InChIKey | LHVJUPHCLWIPLZ-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C(=O)(OC1=CC=CC(=C1C)C(=O)O)C |
| Spectrum/Structure Validation Score (Raman) | 0.7611 |