| SpectraBase Compound ID | 9huhtAzUkYi |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-20(2,3)16-9-7-15(8-10-16)19(22)23-18-13-11-17(12-14-18)21(4,5)6/h7,11-14,16H,8-10H2,1-6H3 |
| InChIKey | APVXMOKTVAXWKI-UHFFFAOYSA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTW2loam2dw |
|---|---|
| Name | 4-T-Butylphenyl 4-T-butylcyclohex-1-enecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.224580204 u |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/c1-20(2,3)16-9-7-15(8-10-16)19(22)23-18-13-11-17(12-14-18)21(4,5)6/h7,11-14,16H,8-10H2,1-6H3 |
| InChIKey | APVXMOKTVAXWKI-UHFFFAOYSA-N |
| Molecular Weight | 314.469 g/mol |
| SMILES | C(C1=CCC(C(C)(C)C)CC1)(OC1=CC=C(C(C)(C)C)C=C1)=O |