| SpectraBase Compound ID | 2SUDZAKNdrg |
|---|---|
| InChI | InChI=1S/C18H24O/c1-14-8-7-13-18(2,3)16(14)11-12-17(19)15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-13H2,1-3H3 |
| InChIKey | VPRTUVNSJOCLGH-UHFFFAOYSA-N |
| Mol Weight | 256.39 g/mol |
| Molecular Formula | C18H24O |
| Exact Mass | 256.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXAXao3f0yQ |
|---|---|
| Name | 1-Propanone, 1-phenyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.182715392 u |
| Formula | C18H24O |
| InChI | InChI=1S/C18H24O/c1-14-8-7-13-18(2,3)16(14)11-12-17(19)15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-13H2,1-3H3 |
| InChIKey | VPRTUVNSJOCLGH-UHFFFAOYSA-N |
| Molecular Weight | 256.389 g/mol |
| SMILES | C1(=C(CCCC1(C)C)C)CCC(=O)C=1C=CC=CC1 |