| SpectraBase Compound ID | 1m1erp7N5aR |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-10-6-5-9-12(13(10)14(15)16)11-7-3-2-4-8-11/h2-8,10,12-13H,9H2,1H3,(H,15,16) |
| InChIKey | YCJSYHUFGXEUCM-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2e9fPKBeGA |
|---|---|
| Name | 2-Methyl-6-phenylcyclohex-3-enecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-10-6-5-9-12(13(10)14(15)16)11-7-3-2-4-8-11/h2-8,10,12-13H,9H2,1H3,(H,15,16) |
| InChIKey | YCJSYHUFGXEUCM-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C1=CC(C(C(C1)C1=CC=CC=C1)C(O)=O)C |