For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1'S,2R,5R,6R)-2-TERT.-BUTYL-6-METHYL-5-(1'-PHENYLPENTYL)-1,3-DIOXAN-4-ONE
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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