| SpectraBase Compound ID | CFgPLDJoExG |
|---|---|
| InChI | InChI=1S/C17H22O/c1-2-3-12-17(14-8-5-4-6-9-14)15-10-7-11-16(18)13-15/h4-6,8-9,13,17H,2-3,7,10-12H2,1H3 |
| InChIKey | ZDTJDQMEYGFORU-UHFFFAOYSA-N |
| Mol Weight | 242.36 g/mol |
| Molecular Formula | C17H22O |
| Exact Mass | 242.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E19kbPrODGy |
|---|---|
| Name | 3-(1-Phenylpentyl)-1-cyclohex-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.167065327 u |
| Formula | C17H22O |
| InChI | InChI=1S/C17H22O/c1-2-3-12-17(14-8-5-4-6-9-14)15-10-7-11-16(18)13-15/h4-6,8-9,13,17H,2-3,7,10-12H2,1H3 |
| InChIKey | ZDTJDQMEYGFORU-UHFFFAOYSA-N |
| Molecular Weight | 242.362 g/mol |
| SMILES | C1(=CC(=O)CCC1)C(C=1C=CC=CC1)CCCC |