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(4S,SS)-Ethyl N-(tert-Butylsulfinyl)-4-amino-6-(2-bromophenyl)-2-methylenehexanoate
SpectraBase Compound ID IL7MxyQOHJL
InChI InChI=1S/C19H28BrNO3S/c1-6-24-18(22)14(2)13-16(21-25(23)19(3,4)5)12-11-15-9-7-8-10-17(15)20/h7-10,16,21H,2,6,11-13H2,1,3-5H3/t16-,25?/m0/s1
InChIKey GSTFENDFUONQBB-YPHZTSLFSA-N
Mol Weight 430.4 g/mol
Molecular Formula C19H28BrNO3S
Exact Mass 429.097328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62QqYU3clrZ
Name (4S,SS)-Ethyl N-(tert-Butylsulfinyl)-4-amino-6-(2-bromophenyl)-2-methylenehexanoate
Alternate Name(s) (S)-ethyl 6-(2-bromophenyl)-4-((S)-1,1-dimethylethylsulfinamido)-2-methylenehexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28BrNO3S
InChI InChI=1S/C19H28BrNO3S/c1-6-24-18(22)14(2)13-16(21-25(23)19(3,4)5)12-11-15-9-7-8-10-17(15)20/h7-10,16,21H,2,6,11-13H2,1,3-5H3/t16-,25?/m0/s1
InChIKey GSTFENDFUONQBB-YPHZTSLFSA-N
Literature Reference DOI 10.1021/jo402759v
Molecular Weight 430.401 g/mol
SMILES N([C@@](CCc1c(cccc1)Br)(CC(C(=O)OCC)=C)[H])[S@](C(C)(C)C)=O
SPLASH splash10-01ba-1930000000-c77691d5ed1281ea4817
Source of Spectrum J-79-1362-6b
Wiley ID 1746084