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Valine, N-benzoyl-3-bromo-, methyl ester
SpectraBase Compound ID CKR1O2Cibsk
InChI InChI=1S/C13H16BrNO3/c1-13(2,14)10(12(17)18-3)15-11(16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,16)
InChIKey JMZRTJPQEIPASD-UHFFFAOYSA-N
Mol Weight 314.18 g/mol
Molecular Formula C13H16BrNO3
Exact Mass 313.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqTHuLHCAjx
Name Valine, N-benzoyl-3-bromo-, methyl ester
Alternate Name(s) Methyl 2-(benzoylamino)-3-bromo-3-methylbutanoate N-Benzoyl-3-bromoovaline methyl ester
CAS Registry Number 116558-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16BrNO3
InChI InChI=1S/C13H16BrNO3/c1-13(2,14)10(12(17)18-3)15-11(16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,15,16)
InChIKey JMZRTJPQEIPASD-UHFFFAOYSA-N
Molecular Weight 314.179 g/mol
SMILES N(C(C(=O)OC)C(Br)(C)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-0690000000-afb0e026d2788d959812
Source of Spectrum KC-1988-267-4
Wiley ID 1314055