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2-Amino-3-[5-(1-naphthalenylmethoxy)-1H-indol-3-yl]pentanoic acid ethyl ester
SpectraBase Compound ID 941qv0Xrd9D
InChI InChI=1S/C26H28N2O3/c1-3-20(25(27)26(29)30-4-2)23-15-28-24-13-12-19(14-22(23)24)31-16-18-10-7-9-17-8-5-6-11-21(17)18/h5-15,20,25,28H,3-4,16,27H2,1-2H3
InChIKey GBRLJCBKJFVNKR-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C26H28N2O3
Exact Mass 416.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5SCF2d4M7E
Name 2-Amino-3-[5-(1-naphthalenylmethoxy)-1H-indol-3-yl]pentanoic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.209992767 u
Formula C26H28N2O3
InChI InChI=1S/C26H28N2O3/c1-3-20(25(27)26(29)30-4-2)23-15-28-24-13-12-19(14-22(23)24)31-16-18-10-7-9-17-8-5-6-11-21(17)18/h5-15,20,25,28H,3-4,16,27H2,1-2H3
InChIKey GBRLJCBKJFVNKR-UHFFFAOYSA-N
Molecular Weight 416.521 g/mol
SMILES C(C(C(CC)C1=CNC2=C1C=C(C=C2)OCC=1C=CC=C2C=CC=CC12)N)(=O)OCC