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S-methyl 3,4-dichlorobenzothioate
SpectraBase Compound ID ACUH278F7aB
InChI InChI=1S/C8H6Cl2OS/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey VLNBVOJGTFIXMZ-UHFFFAOYSA-N
Mol Weight 221.1 g/mol
Molecular Formula C8H6Cl2OS
Exact Mass 219.951641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ff9EQoNzH0
Name S-methyl 3,4-dichlorobenzothioate
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6Cl2OS
InChI InChI=1S/C8H6Cl2OS/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey VLNBVOJGTFIXMZ-UHFFFAOYSA-N
Instrument Name Shimadzu-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202000520
Molecular Weight 221.101 g/mol
Reported Formula C8H6Cl2OS
SMILES c1(Cl)c(cc(cc1)C(=O)SC)Cl
SPLASH splash10-00ba-0900000000-7bbba535ece12cfc86b3
Source of Spectrum AJO-9-SM41-14a
Wiley ID 1855693