| SpectraBase Compound ID | 1GE1UqoNUs7 |
|---|---|
| InChI | InChI=1S/C27H34O4/c1-19-15-16-22(26(2,3)21-13-9-6-10-14-21)24(17-19)31-25(29)27(4,30)18-23(28)20-11-7-5-8-12-20/h5-14,19,22,24,30H,15-18H2,1-4H3/t19-,22-,24-,27+/m1/s1 |
| InChIKey | IMOALASYLFMUEH-QFIWYQEWSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C27H34O4 |
| Exact Mass | 422.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BSBs2iHpXG |
|---|---|
| Name | 5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2-methyl-4-oxo-4-phenylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.245709571 u |
| Formula | C27H34O4 |
| InChI | InChI=1S/C27H34O4/c1-19-15-16-22(26(2,3)21-13-9-6-10-14-21)24(17-19)31-25(29)27(4,30)18-23(28)20-11-7-5-8-12-20/h5-14,19,22,24,30H,15-18H2,1-4H3/t19-,22-,24-,27+/m1/s1 |
| InChIKey | IMOALASYLFMUEH-QFIWYQEWSA-N |
| Molecular Weight | 422.565 g/mol |
| SMILES | C([C@](CC(=O)C1=CC=CC=C1)(O)C)(O[C@]1([C@](C(C2=CC=CC=C2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O |