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3-(3,4-Methylenedioxyphenyl)-1-(4-methoxybenzyl)indole-2-carboxylic acid

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

3-(3,4-Methylenedioxyphenyl)-1-(4-methoxybenzyl)indole-2-carboxylic acid
SpectraBase Compound ID EhWUi5JU80C
InChI InChI=1S/C24H19NO5/c1-28-17-9-6-15(7-10-17)13-25-19-5-3-2-4-18(19)22(23(25)24(26)27)16-8-11-20-21(12-16)30-14-29-20/h2-12H,13-14H2,1H3,(H,26,27)
InChIKey BJJDZESMTREPBE-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C24H19NO5
Exact Mass 401.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PH12RnAJEa
Name 3-(3,4-Methylenedioxyphenyl)-1-(4-methoxybenzyl)indole-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.126322711 u
Formula C24H19NO5
InChI InChI=1S/C24H19NO5/c1-28-17-9-6-15(7-10-17)13-25-19-5-3-2-4-18(19)22(23(25)24(26)27)16-8-11-20-21(12-16)30-14-29-20/h2-12H,13-14H2,1H3,(H,26,27)
InChIKey BJJDZESMTREPBE-UHFFFAOYSA-N
Molecular Weight 401.418 g/mol
SMILES C=1(N(C=2C=CC=CC2C1C=1C=C2OCOC2=CC1)CC1=CC=C(C=C1)OC)C(=O)O