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4-(Methoxymethyl)-9-methyl-6-(1-naphthalenylmethoxy)-3-pyrido[3,4-B]indolecarboxylic acid ethyl ester
SpectraBase Compound ID GloGGYt7WbF
InChI InChI=1S/C28H26N2O4/c1-4-33-28(31)27-23(17-32-3)26-22-14-20(12-13-24(22)30(2)25(26)15-29-27)34-16-19-10-7-9-18-8-5-6-11-21(18)19/h5-15H,4,16-17H2,1-3H3
InChIKey BOXRZPNLGLBATJ-UHFFFAOYSA-N
Mol Weight 454.53 g/mol
Molecular Formula C28H26N2O4
Exact Mass 454.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51v3QgvYIHW
Name 4-(Methoxymethyl)-9-methyl-6-(1-naphthalenylmethoxy)-3-pyrido[3,4-B]indolecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.189257321 u
Formula C28H26N2O4
InChI InChI=1S/C28H26N2O4/c1-4-33-28(31)27-23(17-32-3)26-22-14-20(12-13-24(22)30(2)25(26)15-29-27)34-16-19-10-7-9-18-8-5-6-11-21(18)19/h5-15H,4,16-17H2,1-3H3
InChIKey BOXRZPNLGLBATJ-UHFFFAOYSA-N
Molecular Weight 454.526 g/mol
SMILES C1=NC(=C(C=2C=3C=C(C=CC3N(C12)C)OCC=1C=CC=C2C=CC=CC12)COC)C(=O)OCC