| SpectraBase Compound ID | HvdLicz1tUm |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | BRUOEHVDTAORQY-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ab15xNUnb3i |
|---|---|
| Name | Benzenebutanoic acid, .gamma.-oxo-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey | BRUOEHVDTAORQY-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)CC(OCC)=O |