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7-ketooct-2-ynoic acid methyl ester
SpectraBase Compound ID BS4qzjV9uLx
InChI InChI=1S/C9H12O3/c1-8(10)6-4-3-5-7-9(11)12-2/h3-4,6H2,1-2H3
InChIKey OFPWZYSSORHADJ-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSafWuIH3Sc
Name 7-ketooct-2-ynoic acid methyl ester
Alternate Name(s) 7-Oxo-2-octynoic acid methyl ester Methyl 7-oxidanylideneoct-2-ynoate Methyl 7-oxooct-2-ynoate
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Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-8(10)6-4-3-5-7-9(11)12-2/h3-4,6H2,1-2H3
InChIKey OFPWZYSSORHADJ-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C(#CCCCC(=O)C)C(=O)OC
SPLASH splash10-000f-9800000000-47419601976d706cb93d
Source of Spectrum J-59-1439-11
Wiley ID 1164408