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Bicyclo[2.2.2]octanone, 5-hydroxy-1-methoxy-8-octyl-, (1.alpha.,4.beta.,5.beta.,8S*)-
SpectraBase Compound ID AcXd1DUHygJ
InChI InChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-13-11-17(20-2)12-15(18)14(13)10-16(17)19/h13-15,18H,3-12H2,1-2H3/t13-,14-,15-,17-/m0/s1
InChIKey YNUFFEDGNHKPGJ-JKQORVJESA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjjdYOTGs97
Name Bicyclo[2.2.2]octanone, 5-hydroxy-1-methoxy-8-octyl-, (1.alpha.,4.beta.,5.beta.,8S*)-
CAS Registry Number 130472-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-13-11-17(20-2)12-15(18)14(13)10-16(17)19/h13-15,18H,3-12H2,1-2H3/t13-,14-,15-,17-/m0/s1
InChIKey YNUFFEDGNHKPGJ-JKQORVJESA-N
Molecular Weight 282.424 g/mol
SMILES O[C@]1(C[C@@]2(C(C[C@]1([C@](C2)(CCCCCCCC)[H])[H])=O)OC)[H]
SPLASH splash10-0gvo-0900000000-349bd7d9cee61390fe0a
Source of Spectrum KC-1990-1399-7
Synonyms (1R(*),5R(*),8S(*))-5-hydroxy-1-methoxy-8-octylbicyclo[2.2.2]-octan-2-one (1R,4S,5R,8S)-5-hydroxy-1-methoxy-8-octylbicyclo[2.2.2]octan-2-one
Wiley ID 1286174