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5.alpha.,8.alpha.-Epoxycaryophyll-3-ene
SpectraBase Compound ID JxP6HkFZJOx
InChI InChI=1S/C15H24O/c1-10-5-6-11-12(9-14(11,2)3)15(4)8-7-13(10)16-15/h5,11-13H,6-9H2,1-4H3/b10-5-/t11-,12+,13+,15-/m1/s1
InChIKey DAYMSEYHNLGHJR-YNXVFLMASA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3d3lcrgov8E
Name 5.alpha.,8.alpha.-Epoxycaryophyll-3-ene
Alternate Name(s) (1S,9R)-3,3,7,11-tetramethyl-12-oxatricyclo[7.2.1.0(1,4)]dodec-7-ene 5.alpha.,8.beta.-Epoxycaryophyll-3-ene
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Formula C15H24O
InChI InChI=1S/C15H24O/c1-10-5-6-11-12(9-14(11,2)3)15(4)8-7-13(10)16-15/h5,11-13H,6-9H2,1-4H3/b10-5-/t11-,12+,13+,15-/m1/s1
InChIKey DAYMSEYHNLGHJR-YNXVFLMASA-N
Molecular Weight 220.356 g/mol
SMILES [C@@]12([C@@]3([C@](C\C=C/([C@@](O2)(CC1)[H])C)([H])C(C3)(C)C)[H])C
SPLASH splash10-0ika-0930000000-2d5f5c260a876e3c0199
Source of Spectrum KC-0-2509-2
Wiley ID 786599