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2-[benzyloxycarbonyl(methyl)amino]-3-phenyl-propanoic acid
SpectraBase Compound ID I7ZvV8aSqCY
InChI InChI=1S/C18H19NO4/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,20,21)
InChIKey JDGXKNMKNMSHRJ-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKOlXOqVtsH
Name 2-[benzyloxycarbonyl(methyl)amino]-3-phenyl-propanoic acid
Alternate Name(s) 2-[carbobenzoxy(methyl)amino]-3-phenyl-propionic acid 2-[methyl(phenylmethoxycarbonyl)amino]-3-phenyl-propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,20,21)
InChIKey JDGXKNMKNMSHRJ-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES OC(C(N(C(OCc1ccccc1)=O)C)Cc1ccccc1)=O
SPLASH splash10-0006-9000000000-9729dd42922dc386375e
Source of Spectrum E2-48-117-1
Wiley ID 1555049