| SpectraBase Compound ID | AhxQAwBxBJz |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-6-7-13-16(15-11-9-8-10-12-15)17-14(2)22-19(20(3,4)5)23-18(17)21/h8-12,14,16-17,19H,6-7,13H2,1-5H3/t14-,16-,17?,19-/m1/s1 |
| InChIKey | BVBGTNBFLYMUNQ-HTGGYDROSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3V8EXBCVBLA |
|---|---|
| Name | (1'S,2R,5R,6R)-2-TERT.-BUTYL-6-METHYL-5-(1'-PHENYLPENTYL)-1,3-DIOXAN-4-ONE |
| CAS Registry Number | 129287-63-4 |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-6-7-13-16(15-11-9-8-10-12-15)17-14(2)22-19(20(3,4)5)23-18(17)21/h8-12,14,16-17,19H,6-7,13H2,1-5H3/t14-,16-,17?,19-/m1/s1 |
| InChIKey | BVBGTNBFLYMUNQ-HTGGYDROSA-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 | 318.456 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED12699 |