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(4R,SS)-Ethyl N-(tert-Butylsulfinyl)-4-amino-5-(2-bromophenyl)-2-methylenepentanoate
SpectraBase Compound ID D00rc20EOYk
InChI InChI=1S/C18H26BrNO3S/c1-6-23-17(21)13(2)11-15(20-24(22)18(3,4)5)12-14-9-7-8-10-16(14)19/h7-10,15,20H,2,6,11-12H2,1,3-5H3/t15-,24?/m1/s1
InChIKey AAMIUVXJYKUXMO-GZAIGYLVSA-N
Mol Weight 416.37 g/mol
Molecular Formula C18H26BrNO3S
Exact Mass 415.081678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k2PE981vxt
Name (4R,SS)-Ethyl N-(tert-Butylsulfinyl)-4-amino-5-(2-bromophenyl)-2-methylenepentanoate
Alternate Name(s) (R)-ethyl 5-(2-bromophenyl)-4-((S)-1,1-dimethylethylsulfinamido)-2-methylenepentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26BrNO3S
InChI InChI=1S/C18H26BrNO3S/c1-6-23-17(21)13(2)11-15(20-24(22)18(3,4)5)12-14-9-7-8-10-16(14)19/h7-10,15,20H,2,6,11-12H2,1,3-5H3/t15-,24?/m1/s1
InChIKey AAMIUVXJYKUXMO-GZAIGYLVSA-N
Literature Reference DOI 10.1021/jo402759v
Molecular Weight 416.374 g/mol
SMILES N([C@@](Cc1c(cccc1)Br)(CC(C(=O)OCC)=C)[H])[S@@](=O)C(C)(C)C
SPLASH splash10-006y-2930000000-9e23dc5f90f924b3ce5b
Source of Spectrum J-79-1362-6a
Wiley ID 1746083