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3-Pyridinecarboxylic acid, 5-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-5-yl)-, methyl ester, (-)-
SpectraBase Compound ID DXt7fKaof2E
InChI InChI=1S/C19H19N3O2/c1-24-19(23)13-8-12(9-21-10-13)16-11-20-7-6-15-14-4-2-3-5-17(14)22-18(15)16/h2-5,8-10,16,20,22H,6-7,11H2,1H3
InChIKey PLYVTBWVFRXKTQ-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C19H19N3O2
Exact Mass 321.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mDmRZNuHf8
Name 3-Pyridinecarboxylic acid, 5-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-5-yl)-, methyl ester, (-)-
CAS Registry Number 38940-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O2
InChI InChI=1S/C19H19N3O2/c1-24-19(23)13-8-12(9-21-10-13)16-11-20-7-6-15-14-4-2-3-5-17(14)22-18(15)16/h2-5,8-10,16,20,22H,6-7,11H2,1H3
InChIKey PLYVTBWVFRXKTQ-UHFFFAOYSA-N
Molecular Weight 321.380 g/mol
SMILES N1CC(c2c(c3ccccc3[nH]2)CC1)c1cc(cnc1)C(=O)OC
SPLASH splash10-00bc-1092000000-38f0433bfb4dceb3c0d5
Source of Spectrum EP-6092-0-0
Synonyms Methyl 5-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-5-yl)nicotinate 5-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-5-yl)-3-pyridinecarboxylic acid methyl ester 5-(1,2,3,4,5,6-hexahydroazepin[4,5-b]indol-5-yl)nicotinic acid methyl ester Methyl 5-(1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-5-yl)pyridine-3-carboxylate Nauclederine
Wiley ID 1321009