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(3S,5R)-3-Acetoxy-5-isopropenyl-7,7-dimethoxyheptan-2-one
SpectraBase Compound ID 2cnn0yoLXmG
InChI InChI=1S/C14H24O5/c1-9(2)12(8-14(17-5)18-6)7-13(10(3)15)19-11(4)16/h12-14H,1,7-8H2,2-6H3/t12-,13-/m1/s1
InChIKey VUHYWUSSANKYBP-CHWSQXEVSA-N
Mol Weight 272.34 g/mol
Molecular Formula C14H24O5
Exact Mass 272.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqRtDICQJcW
Name (3S,5R)-3-Acetoxy-5-isopropenyl-7,7-dimethoxyheptan-2-one
Alternate Name(s) (1S,3R)-1-acetyl-3-(2,2-dimethoxyethyl)-4-methyl-4-pentenyl acetate (3R,5R)-3-Acetoxy-5-isopropenyl-7,7-dimethoxyheptan-2-one Acetic acid[(1S,3R)-1-acetyl-3-(2,2-dimethoxyethyl)-4-methyl-pent-4-enyl]ester Acetic acid[(3S,5R)-5-(2,2-dimethoxyethyl)-6-methyl-2-oxohept-6-en-3-yl]ester [(1S,3R)-1-acetyl-3-(2,2-dimethoxyethyl)-4-methyl-pent-4-enyl]acetate [(3S,5R)-5-(2,2-dimethoxyethyl)-6-methyl-2-oxidanylidene-hept-6-en-3-yl]ethanoate [(3S,5R)-5-(2,2-dimethoxyethyl)-6-methyl-2-oxohept-6-en-3-yl]acetate
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Formula C14H24O5
InChI InChI=1S/C14H24O5/c1-9(2)12(8-14(17-5)18-6)7-13(10(3)15)19-11(4)16/h12-14H,1,7-8H2,2-6H3/t12-,13-/m1/s1
InChIKey VUHYWUSSANKYBP-CHWSQXEVSA-N
Molecular Weight 272.341 g/mol
SMILES [C@@](C[C@@](C(=C)C)(CC(OC)OC)[H])(OC(=O)C)(C(=O)C)[H]
SPLASH splash10-004l-9100000000-0581e6e5b70cdc9f5915
Source of Spectrum SO-0-395-9
Wiley ID 864290