| SpectraBase Compound ID | Jp6S9cXen1t |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-12-15(16(20)22-17(21-12)18(2,3)4)14(19)11-10-13-8-6-5-7-9-13/h5-9,12,14-15,17,19H,10-11H2,1-4H3/t12-,14+,15?,17-/m1/s1 |
| InChIKey | ORTORPISLKUAAQ-IMPPXLGYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8b04iMVcDhx |
|---|---|
| Name | (1'S,2R,5R,6R)-2-TERT.-BUTYL-5-(1'-HYDROXY-3'-PHENYLPROPYL)-6-METHYL-1,3-DIOXAN-4-ONE |
| CAS Registry Number | 129287-40-7 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-12-15(16(20)22-17(21-12)18(2,3)4)14(19)11-10-13-8-6-5-7-9-13/h5-9,12,14-15,17,19H,10-11H2,1-4H3/t12-,14+,15?,17-/m1/s1 |
| InChIKey | ORTORPISLKUAAQ-IMPPXLGYSA-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 | 306.402 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED12695 |