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9H-Pyrido[3,4-b]indole-1-carboxylic acid, 3-phenyl-, ethyl ester
SpectraBase Compound ID 8COdNdyZ5g4
InChI InChI=1S/C20H16N2O2/c1-2-24-20(23)19-18-15(14-10-6-7-11-16(14)21-18)12-17(22-19)13-8-4-3-5-9-13/h3-12,21H,2H2,1H3
InChIKey NKSQNODDPFWRIQ-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C20H16N2O2
Exact Mass 316.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsVSwTW0IIX
Name 9H-Pyrido[3,4-b]indole-1-carboxylic acid, 3-phenyl-, ethyl ester
Alternate Name(s) Ethyl 2-phenyl-.beta.-carboline-4-carboxylate ethyl 3-phenyl-9H-.beta.-carboline-1-carboxylate
CAS Registry Number 126422-02-4
Comments Less than 3 mono-isotopic peaks
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Formula C20H16N2O2
InChI InChI=1S/C20H16N2O2/c1-2-24-20(23)19-18-15(14-10-6-7-11-16(14)21-18)12-17(22-19)13-8-4-3-5-9-13/h3-12,21H,2H2,1H3
InChIKey NKSQNODDPFWRIQ-UHFFFAOYSA-N
Molecular Weight 316.360 g/mol
SMILES [nH]1c2ccccc2c2cc(nc(c12)C(=O)OCC)-c1ccccc1
SPLASH splash10-014i-0009000000-a9e50a1c149a8d62df9c
Source of Spectrum J-55-3268-11
Wiley ID 1316992