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(3R,6S)-3-Methyl-6-isopropenyl-2-oxo-oxepanone
SpectraBase Compound ID 9CAeLNhwUn6
InChI InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKey BBKYOZJVRPOMGL-RKDXNWHRSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cgaj5DHvTaa
Name (3R,6S)-3-Methyl-6-isopropenyl-2-oxo-oxepanone
Alternate Name(s) (3R,6S)-3-Methyl-6-isopropenyl-oxepan-2-one (3R,6S(-Isopropenyl-3-methyl-1-oxacycloheptan-2-one (3R,6S)-Isopropenyl-3-methyl-1-oxacycloheptan-2-one (3R,6S)-3-methyl-6-(prop-1-en-2-yl)oxepan-2-one (3R,6S)-3-methyl-6-(1-methylethenyl)-2-oxepanone (3R,6S)-3-methyl-6-prop-1-en-2-yloxepan-2-one (3R,6S)-3-methyl-6-prop-1-en-2-yl-oxepan-2-one
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Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)10(11)12-6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1
InChIKey BBKYOZJVRPOMGL-RKDXNWHRSA-N
Molecular Weight 168.236 g/mol
SMILES [C@@]1(CC[C@@](C(=C)C)(COC1=O)[H])(C)[H]
SPLASH splash10-03xr-9800000000-f88a332dac36a2247c80
Source of Spectrum F5-5-1718-3a
Wiley ID 1733173