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3-Benzyl-4-(3-furyl)-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid methyl ester
SpectraBase Compound ID 76F6jbKwNg0
InChI InChI=1S/C25H24N2O3/c1-29-25(28)22-23-20(19-9-5-6-10-21(19)26-23)11-13-27(15-17-7-3-2-4-8-17)24(22)18-12-14-30-16-18/h2-10,12,14,16,22,24,26H,11,13,15H2,1H3
InChIKey SRAIFWXYCBIHGW-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C25H24N2O3
Exact Mass 400.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkC0kOZH5TB
Name 3-Benzyl-4-(3-furyl)-2,4,5,6-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid methyl ester
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Formula C25H24N2O3
InChI InChI=1S/C25H24N2O3/c1-29-25(28)22-23-20(19-9-5-6-10-21(19)26-23)11-13-27(15-17-7-3-2-4-8-17)24(22)18-12-14-30-16-18/h2-10,12,14,16,22,24,26H,11,13,15H2,1H3
InChIKey SRAIFWXYCBIHGW-UHFFFAOYSA-N
Molecular Weight 400.478 g/mol
SMILES [nH]1c2ccccc2c2CCN(C(C(c12)C(=O)OC)c1cocc1)Cc1ccccc1
SPLASH splash10-052f-8900300000-d34c235579739e0050e8
Source of Spectrum J-58-7487-27
Synonyms 4-(3-furanyl)-3-(phenylmethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid methyl ester Methyl 3-benzyl-4-(3-furyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Methyl 3-benzyl-4-(furan-3-yl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Methyl 4-(furan-3-yl)-3-(phenylmethyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
Wiley ID 1369579