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2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-5-(1-methylethenyl)-, (S)-
SpectraBase Compound ID F82oGY8OOiv
InChI InChI=1S/C12H16O3/c1-8(2)10-4-5-11(12(14)6-10)7-15-9(3)13/h5,10H,1,4,6-7H2,2-3H3/t10-/m0/s1
InChIKey IXJIFMXXOQRFRF-JTQLQIEISA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuF9JV9usk
Name 2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-5-(1-methylethenyl)-, (S)-
Alternate Name(s) 6-Oxo-p-mentha-1,8-dien-7-yl acetate [(4S)-4-isopropenyl-6-oxo-1-cyclohexen-1-yl]methyl acetate
CAS Registry Number 58940-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-8(2)10-4-5-11(12(14)6-10)7-15-9(3)13/h5,10H,1,4,6-7H2,2-3H3/t10-/m0/s1
InChIKey IXJIFMXXOQRFRF-JTQLQIEISA-N
Molecular Weight 208.257 g/mol
SMILES C=1(C(C[C@](CC1)(C(=C)C)[H])=O)COC(=O)C
SPLASH splash10-052b-1900000000-a1b6cdd6c901bddb727c
Source of Spectrum KC-1976-15-0
Wiley ID 1206806