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Methyl (2S)-2-[(4-bromobenzoyl)amino]hexanoate
SpectraBase Compound ID 9qUEveiAwwM
InChI InChI=1S/C14H18BrNO3/c1-3-4-5-12(14(18)19-2)16-13(17)10-6-8-11(15)9-7-10/h6-9,12H,3-5H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKey BJOJWEJBZOHBGN-LBPRGKRZSA-N
Mol Weight 328.21 g/mol
Molecular Formula C14H18BrNO3
Exact Mass 327.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74bBcQdqbF7
Name Methyl (2S)-2-[(4-bromobenzoyl)amino]hexanoate
Alternate Name(s) (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]hexanoic acid methyl ester Methyl (2S)-2-[(4-bromophenyl)carbonylamino]hexanoate
CAS Registry Number 113507-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18BrNO3
InChI InChI=1S/C14H18BrNO3/c1-3-4-5-12(14(18)19-2)16-13(17)10-6-8-11(15)9-7-10/h6-9,12H,3-5H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKey BJOJWEJBZOHBGN-LBPRGKRZSA-N
Molecular Weight 328.206 g/mol
SMILES N(C(c1ccc(cc1)Br)=O)[C@](C(=O)OC)(CCCC)[H]
SPLASH splash10-00ei-0981000000-6177f7780e2cca420546
Source of Spectrum J-53-2105-9
Wiley ID 1325381