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(4R,7S)-7-Methyl-4-isopropenyl-2-oxo-oxepanone
SpectraBase Compound ID Lncx37o9prQ
InChI InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
InChIKey DNWZWUWUDAGNJB-DTWKUNHWSA-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 3a3ikc6m5Q
Name (4R,7S)-7-Methyl-4-isopropenyl-2-oxo-oxepanone
Alternate Name(s) (4R,7S)-4-Isopropenyl-7-methyl-1-oxacycloheptan-2-one (4R,7S)-Isopropenyl-7-methyl-1-oxacycloheptan-2-one (4R,7S)-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one (4R,7S)-7-methyl-4-(1-methylethenyl)-2-oxepanone (4R,7S)-7-methyl-4-prop-1-en-2-yloxepan-2-one (4R,7S)-7-methyl-4-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)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
InChIKey DNWZWUWUDAGNJB-DTWKUNHWSA-N
Molecular Weight 168.236 g/mol
SMILES C1(O[C@](CC[C@](C1)(C(=C)C)[H])(C)[H])=O
SPLASH splash10-066r-9700000000-9e839ef3536b612c266c
Source of Spectrum F5-5-1718-2b
Wiley ID 1733172