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3-Amino-3-(3-nitro-phenyl)-propionic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Amino-3-(3-nitro-phenyl)-propionic acid
SpectraBase Compound ID AV74IQWdsLf
InChI InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
InChIKey SJBFILRQMRECCK-UHFFFAOYSA-N
Mol Weight 210.19 g/mol
Molecular Formula C9H10N2O4
Exact Mass 210.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx6sxR3mdCh
Name 3-Amino-3-(3-nitro-phenyl)-propionic acid
Alternate Name(s) 3-Amino-3-(3-nitrophenyl)propanoic acid 3-Ammonio-3-(3-nitrophenyl)propanoate 3-Ammonio-3-(3-nitrophenyl)propionate 3-Azaniumyl-3-(3-nitrophenyl)propanoate 3-Azanyl-3-(3-nitrophenyl)propanoic acid
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Formula C9H10N2O4
InChI InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)
InChIKey SJBFILRQMRECCK-UHFFFAOYSA-N
Molecular Weight 210.189 g/mol
SMILES OC(CC(c1cc(N(=O)=O)ccc1)N)=O
SPLASH splash10-0udl-9800000000-1dcaad89acd4954f15e8
Wiley ID 1437705