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(1.alpha.H,4.alpha.H,5.alpha.H,7.alpha.H,10.beta.)-10,11-epoxyguaiane
SpectraBase Compound ID AQfhfKICQgS
InChI InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11+,12-,13+,15-/m0/s1
InChIKey QRVMFXFSGYDNJI-ARUSPNSKSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EW19e68H9A
Name (1.alpha.H,4.alpha.H,5.alpha.H,7.alpha.H,10.beta.)-10,11-epoxyguaiane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
GC Oven Program Oven temp 250oC, Split injector
InChI InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11+,12-,13+,15-/m0/s1
InChIKey QRVMFXFSGYDNJI-ARUSPNSKSA-N
Instrument Name Agilent 6890N/Agilent 5973N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.6b01068
Molecular Weight 222.372 g/mol
Reported Formula C15H26O
SMILES [C@]1(CC[C@@]2([C@@]1([H])C[C@]1(CC[C@@]2(OC1(C)C)C)[H])[H])(C)[H]
SPLASH splash10-0arr-9700000000-5e06c90d6cbfb03b3b1c
Source of Spectrum G4-80-529-16
Synonyms 4,5-Di-epi-kessane
Wiley ID 1882105