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3-ketooct-6-ynoic acid methyl ester
SpectraBase Compound ID 26O9qKcInIJ
InChI InChI=1S/C9H12O3/c1-3-4-5-6-8(10)7-9(11)12-2/h5-7H2,1-2H3
InChIKey JSPULTSBGJVCAA-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 KOOvTJjExiY
Name 3-ketooct-6-ynoic acid methyl ester
Alternate Name(s) 3-Oxo-6-octynoic acid methyl ester Methyl 3-oxidanylideneoct-6-ynoate Methyl 3-oxooct-6-ynoate
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Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-3-4-5-6-8(10)7-9(11)12-2/h5-7H2,1-2H3
InChIKey JSPULTSBGJVCAA-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C(CC(CCC#CC)=O)(=O)OC
SPLASH splash10-0002-9200000000-8100a05bfeefe2d044b5
Source of Spectrum H1-40-701-11
Wiley ID 756851