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5-chloro-3'-fluorosalicylanilide, O-ester with diethylthiocarbamate
SpectraBase Compound ID Hlftj68UJDk
InChI InChI=1S/C18H18ClFN2O2S/c1-3-22(4-2)18(25)24-16-9-8-12(19)10-15(16)17(23)21-14-7-5-6-13(20)11-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKey GSMJSNVDRCGEHM-UHFFFAOYSA-N
Mol Weight 380.87 g/mol
Molecular Formula C18H18ClFN2O2S
Exact Mass 380.076155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxjIOFpYo7h
Name o-(4-Chloro-2-[(3-fluoroanilino)carbonyl]phenyl) diethylthiocarbamate
Alternate Name(s) 4-Chloro-2-[(3-fluoroanilino)carbonyl]phenyl (diethylamino)methanethioate N,N-diethylcarbamothioic acid O-[4-chloro-2-[(3-fluoroanilino)-oxomethyl]phenyl] ester O-[4-chloro-2-[(3-fluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamothioate O-[4-chloranyl-2-[(3-fluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamothioate
CAS Registry Number 283155-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClFN2O2S
InChI InChI=1S/C18H18ClFN2O2S/c1-3-22(4-2)18(25)24-16-9-8-12(19)10-15(16)17(23)21-14-7-5-6-13(20)11-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKey GSMJSNVDRCGEHM-UHFFFAOYSA-N
Molecular Weight 380.865 g/mol
SMILES N(C(c1c(OC(=S)N(CC)CC)ccc(c1)Cl)=O)c1cc(F)ccc1
SPLASH splash10-0udi-6910000000-0a7ffe74061dbbdd81b9
Source of Spectrum AD-0-2532-0
Wiley ID 1433258