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METHYL-3-OXOOCT-5-ENOATE
SpectraBase Compound ID LoUEzhK1htU
InChI InChI=1S/C9H14O3/c1-3-4-5-6-8(10)7-9(11)12-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKey GBRRRMLSOFRPST-SNAWJCMRSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HSJ5rDWlwG
Name Methyl (E)-3-oxooct-5-enoate
Alternate Name(s) (E)-3-ketooct-5-enoic acid methyl ester (E)-3-oxo-5-octenoic acid methyl ester Methyl (E)-3-oxidanylideneoct-5-enoate
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Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-3-4-5-6-8(10)7-9(11)12-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKey GBRRRMLSOFRPST-SNAWJCMRSA-N
Molecular Weight 170.208 g/mol
SMILES C(CC(C\C=C\CC)=O)(=O)OC
SPLASH splash10-0udi-2900000000-ea620d78ab71bc41670c
Source of Spectrum KC-0-2149-8
Wiley ID 828814