| SpectraBase Compound ID | 3guanBh22ZS |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3 |
| InChIKey | XLSMGNNWSRNTIQ-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K9DW6zA2XWe |
|---|---|
| Name | 5-Acetyl-2-hydroxy-benzoic acid methyl ester |
| 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(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3 |
| InChIKey | XLSMGNNWSRNTIQ-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C(OC)(C1=CC(=CC=C1O)C(=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.984606 |