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Tryptophan, N-[3-carboxypropionyl]-, methyl ester

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

Tryptophan, N-[3-carboxypropionyl]-, methyl ester
SpectraBase Compound ID DWrjhwDLXJu
InChI InChI=1S/C16H18N2O5/c1-23-16(22)13(18-14(19)6-7-15(20)21)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,17H,6-8H2,1H3,(H,18,19)(H,20,21)
InChIKey XKRGDQZXROQLHY-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jgffexvu1pN
Name Tryptophan, N-[3-carboxypropionyl]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.121571683 u
Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-23-16(22)13(18-14(19)6-7-15(20)21)8-10-9-17-12-5-3-2-4-11(10)12/h2-5,9,13,17H,6-8H2,1H3,(H,18,19)(H,20,21)
InChIKey XKRGDQZXROQLHY-UHFFFAOYSA-N
Molecular Weight 318.329 g/mol
SMILES C1(=CNC2=C1C=CC=C2)CC(NC(=O)CCC(O)=O)C(OC)=O