| SpectraBase Compound ID | I83MTMgl99x |
|---|---|
| InChI | InChI=1S/C24H29O2P/c1-3-19(2)23(25)24(20-13-7-4-8-14-20)27(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3,5-6,9-12,15-18,20,24H,4,7-8,13-14H2,1-2H3/b19-3+ |
| InChIKey | CXCFWKSDFLSPPZ-QBROUFQSSA-N |
| Mol Weight | 380.47 g/mol |
| Molecular Formula | C24H29O2P |
| Exact Mass | 380.190517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKJU72w4eSq |
|---|---|
| Name | (E)-1-Cyclohexyl-1-diphenylphosphoryl-3-methyl-3-penten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.190517170 u |
| Formula | C24H29O2P |
| InChI | InChI=1S/C24H29O2P/c1-3-19(2)23(25)24(20-13-7-4-8-14-20)27(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3,5-6,9-12,15-18,20,24H,4,7-8,13-14H2,1-2H3/b19-3+ |
| InChIKey | CXCFWKSDFLSPPZ-QBROUFQSSA-N |
| Molecular Weight | 380.468 g/mol |
| SMILES | C(P(=O)(C=1C=CC=CC1)C=1C=CC=CC1)(C(\C(=C\C)C)=O)C1CCCCC1 |