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2-Buten-1-one, 1-(2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-, [1R-[1.alpha.(E),4.alpha.]]-
SpectraBase Compound ID B6uCbN94iht
InChI InChI=1S/C13H18O2/c1-5-6-11(14)13-9(2)7-10(15-13)8-12(13,3)4/h5-7,10H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1
InChIKey KYYJGRLZZOEAKB-BXQPDHIASA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1JVjAjFmrm
Name 2-Buten-1-one, 1-(2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl)-, [1R-[1.alpha.(E),4.alpha.]]-
CAS Registry Number 56083-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-6-11(14)13-9(2)7-10(15-13)8-12(13,3)4/h5-7,10H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1
InChIKey KYYJGRLZZOEAKB-BXQPDHIASA-N
Molecular Weight 206.285 g/mol
SMILES [C@]12(C(=C[C@@](O2)([H])CC1(C)C)C)C(\C=C\C)=O
SPLASH splash10-00kn-9400000000-f32306e1093e5ebf9e48
Source of Spectrum H-56-2033-7
Synonyms (2E)-1-[(1R,4S)-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-2-en-1-yl]-2-buten-1-one 3,6-Epoxy-.alpha.-damascone
Wiley ID 1204672