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8-cyano-4-keto-5-methyl-caprylic acid methyl ester
SpectraBase Compound ID G9DW5w7dGDW
InChI InChI=1S/C11H17NO3/c1-9(5-3-4-8-12)10(13)6-7-11(14)15-2/h9H,3-7H2,1-2H3
InChIKey XGUCNVVDGCZASW-UHFFFAOYSA-N
Mol Weight 211.26 g/mol
Molecular Formula C11H17NO3
Exact Mass 211.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4esuRV26Fo
Name 8-cyano-4-keto-5-methyl-caprylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO3
InChI InChI=1S/C11H17NO3/c1-9(5-3-4-8-12)10(13)6-7-11(14)15-2/h9H,3-7H2,1-2H3
InChIKey XGUCNVVDGCZASW-UHFFFAOYSA-N
Molecular Weight 211.261 g/mol
SMILES C(#N)CCCC(C(=O)CCC(=O)OC)C
SPLASH splash10-066r-9600000000-e5be51a338a4dad205b0
Source of Spectrum J-57-5436-7
Synonyms 8-cyano-5-methyl-4-oxooctanoic acid methyl ester Methyl 8-cyano-5-methyl-4-oxidanylidene-octanoate Methyl 8-cyano-5-methyl-4-oxo-octanoate
Wiley ID 1210396