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(3R,6R)-3-Methyl-6-isopropenyl-2-oxo-oxepanone
SpectraBase Compound ID KPB7xPoturF
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-BDAKNGLRSA-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 3ePK2ml6LA
Name (3R,6R)-3-Methyl-6-isopropenyl-2-oxo-oxepanone
Alternate Name(s) (3R,6R)-3-Methyl-6-isopropenyl-oxepan-2-one (3R,6R(-Isopropenyl-3-methyl-1-oxacycloheptan-2-one (3R,6R)-6-Isopropenyl-3-methyl-1-oxacycloheptan-2-one (3R,6R)-3-methyl-6-(prop-1-en-2-yl)oxepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-BDAKNGLRSA-N
Molecular Weight 168.236 g/mol
SMILES [C@@]1(CC[C@](C(=C)C)(COC1=O)[H])(C)[H]
SPLASH splash10-02ta-9700000000-91f698b7ebe870ad02b7
Source of Spectrum F5-5-1718-3b
Wiley ID 1733171