| SpectraBase Compound ID | 8WM9eEzk9CF |
|---|---|
| InChI | InChI=1S/C12H14O3/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15) |
| InChIKey | ROZZUHUWXZLYCS-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 | 1DHG60iMlRg |
|---|---|
| Name | Benzenehexanoic acid, .gamma.-oxo- |
| 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/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15) |
| InChIKey | ROZZUHUWXZLYCS-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(CCC(=O)CCC1=CC=CC=C1)(=O)O |