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5,7-Dichloro-6-methoxy-2-methyl-.beta.carbolinium Chloride
SpectraBase Compound ID 2WkviC6UNrJ
InChI InChI=1S/C13H10Cl2N2O.ClH/c1-17-4-3-7-10(6-17)16-9-5-8(14)13(18-2)12(15)11(7)9;/h3-6H,1-2H3;1H
InChIKey GYXZNTLFVFLNAY-UHFFFAOYSA-N
Mol Weight 317.6 g/mol
Molecular Formula C13H11Cl3N2O
Exact Mass 315.993696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESEfEnWfUiD
Name 5,7-Dichloro-6-methoxy-2-methyl-.beta.carbolinium Chloride
CAS Registry Number 136247-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11Cl3N2O
InChI InChI=1S/C13H10Cl2N2O.ClH/c1-17-4-3-7-10(6-17)16-9-5-8(14)13(18-2)12(15)11(7)9;/h3-6H,1-2H3;1H
InChIKey GYXZNTLFVFLNAY-UHFFFAOYSA-N
Molecular Weight 317.603 g/mol
SMILES [Cl-].[nH]1c2c(c3c1cc(c(c3Cl)OC)Cl)cc[n+](c2)C
SPLASH splash10-0159-0090000000-dd30ef9e09b117d0c36a
Source of Spectrum J-56-6529-7
Synonyms 5,7-Dichloro-6-methoxy-2-methyl-9H-.beta.-carbolin-2-ium chloride
Wiley ID 1316359