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(S)-(+)-5-acetoxy-6-methyl-6-heptanolide
SpectraBase Compound ID JxElQ46JFxk
InChI InChI=1S/C10H16O4/c1-7(11)13-8-5-4-6-9(12)14-10(8,2)3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKey ORRGZAFTEUZLEH-QMMMGPOBSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaeuDUc119f
Name (S)-(+)-5-acetoxy-6-methyl-6-heptanolide
Alternate Name(s) (3S)-2,2-dimethyl-7-oxooxepanyl acetate
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Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-7(11)13-8-5-4-6-9(12)14-10(8,2)3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKey ORRGZAFTEUZLEH-QMMMGPOBSA-N
Molecular Weight 200.234 g/mol
SMILES C1(OC(CCC[C@@]1(OC(=O)C)[H])=O)(C)C
SPLASH splash10-052b-9200000000-46841e19502536b8b59f
Source of Spectrum F-43-4102-3
Wiley ID 1197440