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(RS,1S)-N-tert-Butylsulfinyl-1-(3-chlorophenyl)-2-vinylbut-3-en-1-amine
SpectraBase Compound ID 1bybSXGO9jp
InChI InChI=1S/C16H22ClNOS/c1-6-12(7-2)15(18-20(19)16(3,4)5)13-9-8-10-14(17)11-13/h6-12,15,18H,1-2H2,3-5H3/t15-,20?/m0/s1
InChIKey ZBVXHIWXPPVINF-OOJLDXBWSA-N
Mol Weight 311.87 g/mol
Molecular Formula C16H22ClNOS
Exact Mass 311.111063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hucumx6bO0b
Name (RS,1S)-N-tert-Butylsulfinyl-1-(3-chlorophenyl)-2-vinylbut-3-en-1-amine
Alternate Name(s) (R)-N-((S)-1-(3-chlorophenyl)-2-vinylbut-3-en-1-yl)-2-methylpropane-2-sulfinamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22ClNOS
InChI InChI=1S/C16H22ClNOS/c1-6-12(7-2)15(18-20(19)16(3,4)5)13-9-8-10-14(17)11-13/h6-12,15,18H,1-2H2,3-5H3/t15-,20?/m0/s1
InChIKey ZBVXHIWXPPVINF-OOJLDXBWSA-N
Literature Reference DOI 10.1021/jo402854z
Molecular Weight 311.871 g/mol
SMILES N([C@](c1cc(ccc1)Cl)(C(C=C)C=C)[H])[S@@](C(C)(C)C)=O
SPLASH splash10-000i-0900000000-c651455a0b43a28a5640
Source of Spectrum J-79-1800-4c
Wiley ID 1746104