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5H-Pyrido[4,3-b]indole-1,4-dicarboxylic acid, 3-methyl-, diethyl ester
SpectraBase Compound ID LmWSprCQDXI
InChI InChI=1S/C18H18N2O4/c1-4-23-17(21)13-10(3)19-16(18(22)24-5-2)14-11-8-6-7-9-12(11)20-15(13)14/h6-9,20H,4-5H2,1-3H3
InChIKey GOPCXLHUGDMUHR-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pS3tEaOjSi
Name 5H-Pyrido[4,3-b]indole-1,4-dicarboxylic acid, 3-methyl-, diethyl ester
Alternate Name(s) Diethyl 3-methyl-.gamma.-carboline-1,4-dicarboxylate Diethyl 3-methyl-5H-pyrido[4,3-b]indole-1,4-dicarboxylate
CAS Registry Number 126421-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-4-23-17(21)13-10(3)19-16(18(22)24-5-2)14-11-8-6-7-9-12(11)20-15(13)14/h6-9,20H,4-5H2,1-3H3
InChIKey GOPCXLHUGDMUHR-UHFFFAOYSA-N
Molecular Weight 326.352 g/mol
SMILES [nH]1c2c(c3c1c(c(nc3C(=O)OCC)C)C(=O)OCC)cccc2
SPLASH splash10-0udi-0291000000-0cbbde632cbbdbcd45cc
Source of Spectrum J-55-3268-6
Wiley ID 1324763