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S-ETHYL-4-CHLOROTHIOLBENZOATE
SpectraBase Compound ID DjbduuffxVE
InChI InChI=1S/C9H9ClOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey PUGWLRJVMNHOCL-UHFFFAOYSA-N
Mol Weight 200.68 g/mol
Molecular Formula C9H9ClOS
Exact Mass 200.006264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmANtyGGBLi
Name 4-Chlorobenzenecarbothioic acid S-ethyl ester
Alternate Name(s) S-Ethyl 4-Chlorobenzenecarbothioate 4-Chlorothiobenzoic acid S-ethyl ester S-ethyl 4-chloranylbenzenecarbothioate
CAS Registry Number 28145-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9ClOS
InChI InChI=1S/C9H9ClOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey PUGWLRJVMNHOCL-UHFFFAOYSA-N
Molecular Weight 200.683 g/mol
SMILES c1(ccc(cc1)Cl)C(=O)SCC
SPLASH splash10-03fr-5910000000-84910565e93b1ad97ebc
Source of Spectrum KC-0-602-29
Wiley ID 827550