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2-(Methylthio)-4-dodecenoic isobutyl amide
SpectraBase Compound ID D0PDshcDIyI
InChI InChI=1S/C17H33NOS/c1-5-6-7-8-9-10-11-12-13-16(20-4)17(19)18-14-15(2)3/h11-12,15-16H,5-10,13-14H2,1-4H3,(H,18,19)/b12-11+
InChIKey FDFGDEWAAULSIV-VAWYXSNFSA-N
Mol Weight 299.5 g/mol
Molecular Formula C17H33NOS
Exact Mass 299.228286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIAaeN1rMTS
Name 2-(Methylthio)-4-dodecenoic isobutyl amide
Alternate Name(s) (4E)-N-isobutyl-2-(methylsulfanyl)-4-dodecenamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H33NOS
InChI InChI=1S/C17H33NOS/c1-5-6-7-8-9-10-11-12-13-16(20-4)17(19)18-14-15(2)3/h11-12,15-16H,5-10,13-14H2,1-4H3,(H,18,19)/b12-11+
InChIKey FDFGDEWAAULSIV-VAWYXSNFSA-N
Molecular Weight 299.517 g/mol
SMILES N(C(=O)C(SC)C\C=C\CCCCCCC)CC(C)C
SPLASH splash10-0udi-2390000000-dc29bc4c0d4bda5ee518
Source of Spectrum QA-46-965-3
Wiley ID 863182