| SpectraBase Compound ID | TlWMptl2qo |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-6-7-8-12-15-18(17-13-10-9-11-14-17)19-16(2)24-21(22(3,4)5)25-20(19)23/h9-11,13-14,16,18-19,21H,6-8,12,15H2,1-5H3/t16-,18-,19?,21-/m1/s1 |
| InChIKey | ZFAZAHHHMWSVEY-RECOEVNISA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTfFLcQjPJa |
|---|---|
| Name | (1'S,2R,5R,6R)-2-TERT.-BUTYL-6-METHYL-5-(1'-PHENYLHEPTYL)-1,3-DIOXAN-4-ONE |
| CAS Registry Number | 129287-64-5 |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-6-7-8-12-15-18(17-13-10-9-11-14-17)19-16(2)24-21(22(3,4)5)25-20(19)23/h9-11,13-14,16,18-19,21H,6-8,12,15H2,1-5H3/t16-,18-,19?,21-/m1/s1 |
| InChIKey | ZFAZAHHHMWSVEY-RECOEVNISA-N |
| Literature Reference Author | W.AMBERG,D.SEEBACH |
| Literature Reference Citation | CHEM.BER.,123,2413(1990) |
| Literature Reference DOI | 10.1002/cber.19901231225 |
| Molecular Weight | 346.510 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED12700 |