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Thiocyanic acid, 4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl ester
SpectraBase Compound ID 2sW37dfkqmr
InChI InChI=1S/C13H6Cl4N2OS/c14-6-1-8(16)11(3-7(6)15)20-12-4-13(21-5-18)9(17)2-10(12)19/h1-4H,19H2
InChIKey KPNRBRAYWRNRPO-UHFFFAOYSA-N
Mol Weight 380.1 g/mol
Molecular Formula C13H6Cl4N2OS
Exact Mass 377.895495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kcx3Aq9r2q
Name Thiocyanic acid, 4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl ester
CAS Registry Number 13997-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H6Cl4N2OS
InChI InChI=1S/C13H6Cl4N2OS/c14-6-1-8(16)11(3-7(6)15)20-12-4-13(21-5-18)9(17)2-10(12)19/h1-4H,19H2
InChIKey KPNRBRAYWRNRPO-UHFFFAOYSA-N
Molecular Weight 380.076 g/mol
SMILES Nc1cc(c(cc1Oc1cc(c(cc1Cl)Cl)Cl)SC#N)Cl
SPLASH splash10-001l-0419000000-f7493578b99d8ac8108a
Source of Spectrum EP-7011-0-0
Synonyms 4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate [4-amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl] thiocyanate [4-azanyl-2-chloranyl-5-[2,4,5-tris(chloranyl)phenoxy]phenyl] thiocyanate
Wiley ID 1358460