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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwloaZdPhi8
Name 3-(3,4-methylenedioxyphenyl)-1-(4-methoxybenzyl)indole-2-carboxylic acid
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)-1-p-anisyl-indole-2-carboxylic acid 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-indolecarboxylic acid 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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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 OC(c1[n](c2ccccc2c1-c1cc2OCOc2cc1)Cc1ccc(cc1)OC)=O
SPLASH splash10-00di-0900200000-c70839e147e9b6d69c41
Source of Spectrum F-52-7340-4
Wiley ID 796885