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2-(Methylthio)-4-octenoic isobutyl amide
SpectraBase Compound ID 7leBaq335HD
InChI InChI=1S/C13H25NOS/c1-5-6-7-8-9-12(16-4)13(15)14-10-11(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,14,15)/b8-7+
InChIKey OAFGXLCUJLPHTD-BQYQJAHWSA-N
Mol Weight 243.41 g/mol
Molecular Formula C13H25NOS
Exact Mass 243.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GS7dMDWeSc9
Name 2-(Methylthio)-4-octenoic isobutyl amide
Alternate Name(s) (4E)-N-isobutyl-2-(methylsulfanyl)-4-octenamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25NOS
InChI InChI=1S/C13H25NOS/c1-5-6-7-8-9-12(16-4)13(15)14-10-11(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,14,15)/b8-7+
InChIKey OAFGXLCUJLPHTD-BQYQJAHWSA-N
Molecular Weight 243.409 g/mol
SMILES N(C(=O)C(SC)C\C=C\CCC)CC(C)C
SPLASH splash10-0002-4910000000-446322c16d487349a9a7
Source of Spectrum QA-46-964-3
Wiley ID 863186