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3H-Pyrido[3,4-b]indole-3-carboxylic acid, 5-chloro-4,9-dihydro-, ethyl ester, 2-oxide
SpectraBase Compound ID 75VCbNsJaW5
InChI InChI=1S/C14H13ClN2O3/c1-2-20-14(18)12-6-8-11(7-17(12)19)16-10-5-3-4-9(15)13(8)10/h3-5,7,12,16H,2,6H2,1H3
InChIKey KNIFSBJKKIRAIE-UHFFFAOYSA-N
Mol Weight 292.72 g/mol
Molecular Formula C14H13ClN2O3
Exact Mass 292.06147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DV9tUqaf2hS
Name 3H-Pyrido[3,4-b]indole-3-carboxylic acid, 5-chloro-4,9-dihydro-, ethyl ester, 2-oxide
CAS Registry Number 121994-18-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClN2O3
InChI InChI=1S/C14H13ClN2O3/c1-2-20-14(18)12-6-8-11(7-17(12)19)16-10-5-3-4-9(15)13(8)10/h3-5,7,12,16H,2,6H2,1H3
InChIKey KNIFSBJKKIRAIE-UHFFFAOYSA-N
Molecular Weight 292.722 g/mol
SMILES [nH]1c2cccc(c2c2c1C=[N+](C(C2)C(=O)OCC)[O-])Cl
SPLASH splash10-0udi-0090000000-da1e78d4bc0fde53afcd
Source of Spectrum F-44-6499-3
Synonyms 2-Oxo-3-(ethoxycarbonyl)-5-chloro-3,4-dihydro-.beta.-carboline Ethyl 5-chloro-4,9-dihydro-3H-.beta.-carboline-3-carboxylate 2-oxide
Wiley ID 1295131