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Valylalanine phenyl ester hydrobromide

View entire compound with spectra: 1 MS (GC)

Valylalanine phenyl ester hydrobromide
SpectraBase Compound ID 3jhfahvPqbg
InChI InChI=1S/C14H20N2O3.Br/c1-9(2)12(15)13(17)16-10(3)14(18)19-11-7-5-4-6-8-11;/h4-10,12H,15H2,1-3H3,(H,16,17);/t10-,12-;/m0./s1
InChIKey VHSXXOOWJDTGHM-JGAZGGJJSA-N
Mol Weight 344.23 g/mol
Molecular Formula C14H20BrN2O3
Exact Mass 343.065731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeDuYSIuqmd
Name Valylalanine phenyl ester hydrobromide
Alternate Name(s) phenyl (2S)-2-{[(2S)-2-amino-3-methylbutanoyl]amino}propanoate hydrobromide
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Formula C14H21BrN2O3
InChI InChI=1S/C14H20N2O3.Br/c1-9(2)12(15)13(17)16-10(3)14(18)19-11-7-5-4-6-8-11;/h4-10,12H,15H2,1-3H3,(H,16,17);/t10-,12-;/m0./s1
InChIKey VHSXXOOWJDTGHM-JGAZGGJJSA-N
Molecular Weight 345.237 g/mol
SMILES Br.N(C([C@@](N)(C(C)C)[H])=O)[C@](C(Oc1ccccc1)=O)(C)[H]
SPLASH splash10-00di-9100000000-45324bec322fd4b8bb68
Source of Spectrum KC-1985-465-15
Wiley ID 1337605