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Tryptophan, .alpha.-nitro-.alpha.-desamino-2-carbethoxy-, ethyl ester
SpectraBase Compound ID 6PtmVuzkSm6
InChI InChI=1S/C16H18N2O6/c1-3-23-15(19)13(18(21)22)9-11-10-7-5-6-8-12(10)17-14(11)16(20)24-4-2/h5-8,13,17H,3-4,9H2,1-2H3
InChIKey BIQWSTWYNZLTLA-UHFFFAOYSA-N
Mol Weight 334.33 g/mol
Molecular Formula C16H18N2O6
Exact Mass 334.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Mw4VAXrxqT
Name Tryptophan, .alpha.-nitro-.alpha.-desamino-2-carbethoxy-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.116486302 u
Formula C16H18N2O6
InChI InChI=1S/C16H18N2O6/c1-3-23-15(19)13(18(21)22)9-11-10-7-5-6-8-12(10)17-14(11)16(20)24-4-2/h5-8,13,17H,3-4,9H2,1-2H3
InChIKey BIQWSTWYNZLTLA-UHFFFAOYSA-N
Molecular Weight 334.328 g/mol
SMILES C1=CC=CC2=C1C(CC(N(=O)=O)C(OCC)=O)=C(N2)C(OCC)=O