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2-Oxabicyclo[2.2.2]octan-6-ol, 4-chloro-1,3-dimethyl-3-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,3.beta.,4.beta.,6.alpha.)-(.+-.)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Oxabicyclo[2.2.2]octan-6-ol, 4-chloro-1,3-dimethyl-3-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,3.beta.,4.beta.,6.alpha.)-(.+-.)-
SpectraBase Compound ID HOcpETY0aTk
InChI InChI=1S/C17H27ClO3/c1-12(2)7-6-8-16(5)17(18)10-9-15(4,21-16)14(11-17)20-13(3)19/h7,14H,6,8-11H2,1-5H3/t14-,15-,16-,17+/m0/s1
InChIKey AFKRXTYFKOKOPK-LUKYLMHMSA-N
Mol Weight 314.85 g/mol
Molecular Formula C17H27ClO3
Exact Mass 314.164872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSDFIxh0l7L
Name 2-Oxabicyclo[2.2.2]octan-6-ol, 4-chloro-1,3-dimethyl-3-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,3.beta.,4.beta.,6.alpha.)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.164872426 u
Formula C17H27ClO3
InChI InChI=1S/C17H27ClO3/c1-12(2)7-6-8-16(5)17(18)10-9-15(4,21-16)14(11-17)20-13(3)19/h7,14H,6,8-11H2,1-5H3/t14-,15-,16-,17+/m0/s1
InChIKey AFKRXTYFKOKOPK-LUKYLMHMSA-N
SMILES [C@]12([C@@](O[C@](CC2)(C)[C@](C1)(OC(=O)C)[H])(CCC=C(C)C)C)Cl