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(+)-(1R,2S,3S,4S,5S,6R,7S)-exo-3-(Oct-2-ynyl)-exo-4,5-epoxy-endo-tricyclo[5.2.1.0(2,6)]dec-8-en-endo-3-ol
SpectraBase Compound ID B46doPqGQt8
InChI InChI=1S/C18H24O2/c1-2-3-4-5-6-7-10-18(19)15-13-9-8-12(11-13)14(15)16-17(18)20-16/h8-9,12-17,19H,2-5,10-11H2,1H3/t12-,13+,14-,15+,16+,17+,18+/m1/s1
InChIKey PTTBJQKEEGTJCS-WSKJNLASSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBVxdqDt3Ka
Name (+)-(1R,2S,3S,4S,5S,6R,7S)-exo-3-(Oct-2-ynyl)-exo-4,5-epoxy-endo-tricyclo[5.2.1.0(2,6)]dec-8-en-endo-3-ol
Alternate Name(s) (1S,2R,3S,5S,6S,7S,8R)-6-(2-octynyl)-4-oxatetracyclo[6.2.1.0(2,7).0(3,5)]undec-9-en-6-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-2-3-4-5-6-7-10-18(19)15-13-9-8-12(11-13)14(15)16-17(18)20-16/h8-9,12-17,19H,2-5,10-11H2,1H3/t12-,13+,14-,15+,16+,17+,18+/m1/s1
InChIKey PTTBJQKEEGTJCS-WSKJNLASSA-N
Molecular Weight 272.388 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@@]3([C@@]4(C=C[C@]([C@]13[H])(C4)[H])[H])[H])([H])O2)[H])CC#CCCCCC
SPLASH splash10-014i-9000000000-2743ad6f225676427ff7
Source of Spectrum F-51-5859-25
Wiley ID 792078