| SpectraBase Compound ID | 62Jj2YF9wHt |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-7(11)14-9-4-2-8(3-5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | WCTJRKVPYCQVQM-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 | 7wtvNchM6bG |
|---|---|
| Name | Benzeneacetic acid, 4-(acetyloxy)- |
| 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)14-9-4-2-8(3-5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | WCTJRKVPYCQVQM-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | OC(CC=1C=CC(=CC1)OC(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.981636 |