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3-Buten-1-one, 1-[6-[(acetyloxy)methyl]-2,2-dimethylcyclohexyl]-, cis-(.+-.)-
SpectraBase Compound ID FeLucsGglGi
InChI InChI=1S/C15H24O3/c1-5-7-13(17)14-12(10-18-11(2)16)8-6-9-15(14,3)4/h5,12,14H,1,6-10H2,2-4H3/t12-,14-/m0/s1
InChIKey HQYFMVCDVLSZIR-JSGCOSHPSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16ZcZH5huij
Name 3-Buten-1-one, 1-[6-[(acetyloxy)methyl]-2,2-dimethylcyclohexyl]-, cis-(.+-.)-
Alternate Name(s) (1'RS,2'SR)-[3',3'-dimethyl-2'-(1''-oxo-2''-butenyl)cyclohexyl]methyl acetate (1'RS,2'SR)-[3',3'-dimethyl-2'-(1''-oxo-3''-butenyl)cyclohexyl]methyl acetate [(1R,2R)-2-(3-butenoyl)-3,3-dimethylcyclohexyl]methyl acetate
CAS Registry Number 122203-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-5-7-13(17)14-12(10-18-11(2)16)8-6-9-15(14,3)4/h5,12,14H,1,6-10H2,2-4H3/t12-,14-/m0/s1
InChIKey HQYFMVCDVLSZIR-JSGCOSHPSA-N
Molecular Weight 252.354 g/mol
SMILES [C@]1(C(CCC[C@]1(COC(=O)C)[H])(C)C)(C(=O)CC=C)[H]
SPLASH splash10-014i-9400000000-90dafb055d99e0b8ffed
Source of Spectrum H-71-1596-25
Wiley ID 1255877