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Thiocyanic acid, 4-amino-2-chloro-5-(4-iodophenoxy)phenyl ester
SpectraBase Compound ID AvYV06lAtU8
InChI InChI=1S/C13H8ClIN2OS/c14-10-5-11(17)12(6-13(10)19-7-16)18-9-3-1-8(15)2-4-9/h1-6H,17H2
InChIKey SHMXEVFLBSTREN-UHFFFAOYSA-N
Mol Weight 402.64 g/mol
Molecular Formula C13H8ClIN2OS
Exact Mass 401.909057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VSiOPWljoo
Name Thiocyanic acid, 4-amino-2-chloro-5-(4-iodophenoxy)phenyl ester
CAS Registry Number 13997-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8ClIN2OS
InChI InChI=1S/C13H8ClIN2OS/c14-10-5-11(17)12(6-13(10)19-7-16)18-9-3-1-8(15)2-4-9/h1-6H,17H2
InChIKey SHMXEVFLBSTREN-UHFFFAOYSA-N
Molecular Weight 402.637 g/mol
SMILES Nc1cc(c(cc1Oc1ccc(cc1)I)SC#N)Cl
SPLASH splash10-0udi-3632900000-af2038102c264886e6d9
Source of Spectrum EP-7012-0-0
Synonyms 4-Amino-2-chloro-5-(4-iodophenoxy)phenyl thiocyanate Thiocyanic acid, 4-amino-2-chloro-5-(p-iodophenoxy)phenyl ester [4-amino-2-chloro-5-(4-iodophenoxy)phenyl] thiocyanate [4-azanyl-2-chloranyl-5-(4-iodanylphenoxy)phenyl] thiocyanate
Wiley ID 1370147