| SpectraBase Compound ID | 2fl8jad9jjM |
|---|---|
| InChI | InChI=1S/C18H26O/c1-4-5-7-10-16(15(2)3)13-14-18(19)17-11-8-6-9-12-17/h6,8-9,11-16H,4-5,7,10H2,1-3H3/b14-13+/t16-/m0/s1 |
| InChIKey | FHMZXOJEQIAZAT-VUSFMPOISA-N |
| Mol Weight | 258.4 g/mol |
| Molecular Formula | C18H26O |
| Exact Mass | 258.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jret5Re3gj4 |
|---|---|
| Name | (+)-(4R,2E)-4-isopropyl-1-phenyl-non-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.198365456 u |
| Formula | C18H26O |
| InChI | InChI=1S/C18H26O/c1-4-5-7-10-16(15(2)3)13-14-18(19)17-11-8-6-9-12-17/h6,8-9,11-16H,4-5,7,10H2,1-3H3/b14-13+/t16-/m0/s1 |
| InChIKey | FHMZXOJEQIAZAT-VUSFMPOISA-N |
| Molecular Weight | 258.405 g/mol |
| SMILES | C=1(C(\C=C\[C@@](C(C)C)(CCCCC)[H])=O)C=CC=CC1 |