| SpectraBase Compound ID | 8LuCxAqQ3n7 |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | WONJXDOZKTVJIO-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4NeeccuD8hp |
|---|---|
| Name | Benzoic acid, 3-hydroxy-, 2-methylpropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | WONJXDOZKTVJIO-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | OC=1C=CC=C(C1)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.980632 |