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4-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2.alpha.(E),5.alpha.]-(+)-
SpectraBase Compound ID 661fOkEtPkF
InChI InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-8,11-12,14H,1,9-10H2,2-5H3/b8-7+/t12-,14?,15+/m0/s1
InChIKey NMSXSGMHOUHHGP-RSVDNEEOSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EjzdDvYEfC
Name 4-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2.alpha.(E),5.alpha.]-(+)-
Alternate Name(s) (2R,4E)-6-methyl-2-[(5S)-5-methyl-5-vinyltetrahydro-2-furanyl]-4-hepten-3-one Isodavanone
CAS Registry Number 54927-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-8,11-12,14H,1,9-10H2,2-5H3/b8-7+/t12-,14?,15+/m0/s1
InChIKey NMSXSGMHOUHHGP-RSVDNEEOSA-N
Molecular Weight 236.355 g/mol
SMILES C1(O[C@@](CC1)(C=C)C)[C@](C(\C=C\C(C)C)=O)(C)[H]
SPLASH splash10-0007-9100000000-2d2e9077b8097beb8a53
Source of Spectrum H-57-2083-2
Wiley ID 1238582