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2-(Methylthio)-4-undecenoic isobutyl amide
SpectraBase Compound ID ESmIHX4laD8
InChI InChI=1S/C16H31NOS/c1-5-6-7-8-9-10-11-12-15(19-4)16(18)17-13-14(2)3/h10-11,14-15H,5-9,12-13H2,1-4H3,(H,17,18)/b11-10+
InChIKey JMXDFIPCHKQDEU-ZHACJKMWSA-N
Mol Weight 285.49 g/mol
Molecular Formula C16H31NOS
Exact Mass 285.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwCjXwuxypb
Name 2-(Methylthio)-4-undecenoic isobutyl amide
Alternate Name(s) (4E)-N-isobutyl-2-(methylsulfanyl)-4-undecenamide
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Formula C16H31NOS
InChI InChI=1S/C16H31NOS/c1-5-6-7-8-9-10-11-12-15(19-4)16(18)17-13-14(2)3/h10-11,14-15H,5-9,12-13H2,1-4H3,(H,17,18)/b11-10+
InChIKey JMXDFIPCHKQDEU-ZHACJKMWSA-N
Molecular Weight 285.490 g/mol
SMILES N(C(=O)C(SC)C\C=C\CCCCCC)CC(C)C
SPLASH splash10-000i-3390000000-540b3bbd48787d86e704
Source of Spectrum QA-46-965-3
Wiley ID 863183