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(E)-4-[(1S,5R)-2,2-dimethyl-6-methylidene-5-oxidanyl-cyclohexyl]but-3-en-2-one

View entire compound with spectra: 1 MS (GC)

(E)-4-[(1S,5R)-2,2-dimethyl-6-methylidene-5-oxidanyl-cyclohexyl]but-3-en-2-one
SpectraBase Compound ID Ep9NJ1bY6Fp
InChI InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,11-12,15H,2,7-8H2,1,3-4H3/b6-5+/t11-,12-/m1/s1
InChIKey FVCUSXRBKRDLRU-IEVRTODYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPxj7hgELvY
Name (E)-4-[(1S,5R)-2,2-dimethyl-6-methylidene-5-oxidanyl-cyclohexyl]but-3-en-2-one
CAS Registry Number 137669-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,11-12,15H,2,7-8H2,1,3-4H3/b6-5+/t11-,12-/m1/s1
InChIKey FVCUSXRBKRDLRU-IEVRTODYSA-N
Molecular Weight 208.301 g/mol
SMILES O[C@]1(C([C@@](\C=C\C(=O)C)(C(C)(C)CC1)[H])=C)[H]
SPLASH splash10-0006-9300000000-46dcea00bf6b665d0dfe
Source of Spectrum U-1992-196-7
Synonyms (E)-4-[(1S,5R)-5-hydroxy-2,2-dimethyl-6-methylene-cyclohexyl]but-3-en-2-one (E)-4-[(1S,5R)-5-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-buten-2-one (E)-4-[(1S,5R)-5-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]but-3-en-2-one
Wiley ID 763910