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1-(5-ketohexyl)indole-3-carboxylic acid methyl ester
SpectraBase Compound ID 2wQ6VVnbKmw
InChI InChI=1S/C16H19NO3/c1-12(18)7-5-6-10-17-11-14(16(19)20-2)13-8-3-4-9-15(13)17/h3-4,8-9,11H,5-7,10H2,1-2H3
InChIKey VHSUPESPDNDEHK-UHFFFAOYSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1m8Dp0Xmv42
Name 1-(5-ketohexyl)indole-3-carboxylic acid methyl ester
Alternate Name(s) 1-(5-oxohexyl)-3-indolecarboxylic acid methyl ester Methyl 1-(5-oxidanylidenehexyl)indole-3-carboxylate Methyl 1-(5-oxohexyl)indole-3-carboxylate
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Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-12(18)7-5-6-10-17-11-14(16(19)20-2)13-8-3-4-9-15(13)17/h3-4,8-9,11H,5-7,10H2,1-2H3
InChIKey VHSUPESPDNDEHK-UHFFFAOYSA-N
Molecular Weight 273.332 g/mol
SMILES c1[n](c2ccccc2c1C(=O)OC)CCCCC(C)=O
SPLASH splash10-00du-4490000000-eb04b90685abb8542ef9
Source of Spectrum K1-0-4991-9
Wiley ID 1589825