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Thiocyanic acid, 4-amino-2-chloro-5-[(4-chlorophenyl)amino]phenyl ester
SpectraBase Compound ID JdA9ortuQoS
InChI InChI=1S/C13H9Cl2N3S/c14-8-1-3-9(4-2-8)18-12-6-13(19-7-16)10(15)5-11(12)17/h1-6,18H,17H2
InChIKey XUJFWVWBXPUXOU-UHFFFAOYSA-N
Mol Weight 310.2 g/mol
Molecular Formula C13H9Cl2N3S
Exact Mass 308.989424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vaKNyN9yht
Name Thiocyanic acid, 4-amino-2-chloro-5-[(4-chlorophenyl)amino]phenyl ester
CAS Registry Number 23648-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9Cl2N3S
InChI InChI=1S/C13H9Cl2N3S/c14-8-1-3-9(4-2-8)18-12-6-13(19-7-16)10(15)5-11(12)17/h1-6,18H,17H2
InChIKey XUJFWVWBXPUXOU-UHFFFAOYSA-N
Molecular Weight 310.202 g/mol
SMILES Nc1cc(c(cc1Nc1ccc(cc1)Cl)SC#N)Cl
SPLASH splash10-0udi-3292000000-80d10122ab34f56ef91e
Source of Spectrum JZ-1992-2433-0
Synonyms 2-Amino-4,4'-dichloro-5-thiocyanatodiphenylamine 4-Amino-2-chloro-5-(4-chloroanilino)phenyl thiocyanate Thiocyanic acid, 4-amino-2-chloro-5-(p-chloroanilino)phenyl ester
Wiley ID 1310477