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3-Acetylamino-2-(1-methoxycarbonyl-indol-3-yl)-propanoic acid, methyl ester
SpectraBase Compound ID H4Vs45vpfPl
InChI InChI=1S/C16H18N2O5/c1-10(19)17-8-12(15(20)22-2)13-9-18(16(21)23-3)14-7-5-4-6-11(13)14/h4-7,9,12H,8H2,1-3H3,(H,17,19)
InChIKey XXCQASYLXMDJLB-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 Hj348jdioZ
Name 3-Acetylamino-2-(1-methoxycarbonyl-indol-3-yl)-propanoic acid, methyl ester
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Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-10(19)17-8-12(15(20)22-2)13-9-18(16(21)23-3)14-7-5-4-6-11(13)14/h4-7,9,12H,8H2,1-3H3,(H,17,19)
InChIKey XXCQASYLXMDJLB-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M.S. Morales-Rios, P. Joseph-Nathan, Magn. Res. Chem. 25, 911 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3