| SpectraBase Compound ID | CMXIis7XlZc |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3 |
| InChIKey | ONWPLBKWMAUFGZ-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 | H61CGuayqSh |
|---|---|
| Name | Acetylsalicylic 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/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3 |
| InChIKey | ONWPLBKWMAUFGZ-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C=1C(=C(C=CC1)OC(C)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.744066 |