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Valine, N-(3-bromo-2,2-dimethyl-1-oxopropyl)-3-chloro-, methyl ester
SpectraBase Compound ID 3E0yWKJfaPA
InChI InChI=1S/C11H19BrClNO3/c1-10(2,6-12)9(16)14-7(8(15)17-5)11(3,4)13/h7H,6H2,1-5H3,(H,14,16)/t7-/m1/s1
InChIKey QNYAGFAQVUAIFI-SSDOTTSWSA-N
Mol Weight 328.63 g/mol
Molecular Formula C11H19BrClNO3
Exact Mass 327.023684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vPYEs0BCdL
Name Valine, N-(3-bromo-2,2-dimethyl-1-oxopropyl)-3-chloro-, methyl ester
Alternate Name(s) Methyl (2R)-2-[(3-bromo-2,2-dimethylpropanoyl)amino]-3-chloro-3-methylbutanoate N-(3-bromo-2,2-dimethylpropionyl)-3-chlorovaline methyl ester
CAS Registry Number 116453-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19BrClNO3
InChI InChI=1S/C11H19BrClNO3/c1-10(2,6-12)9(16)14-7(8(15)17-5)11(3,4)13/h7H,6H2,1-5H3,(H,14,16)/t7-/m1/s1
InChIKey QNYAGFAQVUAIFI-SSDOTTSWSA-N
Molecular Weight 328.634 g/mol
SMILES N([C@](C(=O)OC)(C(Cl)(C)C)[H])C(C(CBr)(C)C)=O
SPLASH splash10-02t9-0901000000-687ef852024a25919d88
Source of Spectrum KC-1988-268-0
Wiley ID 1325331