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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.alpha.,4.beta.,6.alpha.)-(.+-.)-

View entire compound with spectra: 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.alpha.,4.beta.,6.alpha.)-(.+-.)-
SpectraBase Compound ID 1emwiDa49pO
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-MWDXBVQZSA-N
Mol Weight 314.85 g/mol
Molecular Formula C17H27ClO3
Exact Mass 314.164872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qxpei6PQcf
Name 2-Oxabicyclo[2.2.2]octan-6-ol, 4-chloro-1,3-dimethyl-3-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,3.alpha.,4.beta.,6.alpha.)-(.+-.)-
CAS Registry Number 94294-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-MWDXBVQZSA-N
Molecular Weight 314.853 g/mol
SMILES [C@]12([C@](O[C@](CC2)(C)[C@](C1)(OC(=O)C)[H])(CCC=C(C)C)C)Cl
SPLASH splash10-0a4i-5900000000-421fe659b3f9e4c0a8d3
Source of Spectrum C-108-7808-30
Synonyms (1S,3R,4R,6S)-4-chloro-1,3-dimethyl-3-(4-methyl-3-pentenyl)-2-oxabicyclo[2.2.2]oct-6-yl acetate
Wiley ID 1315028