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3-Chlorothioanisole
SpectraBase Compound ID KEJRDUvIzNS
InChI InChI=1S/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey PTGSDZVASWKUHK-UHFFFAOYSA-N
Mol Weight 158.65 g/mol
Molecular Formula C7H7ClS
Exact Mass 157.995699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWCQ4wovUFY
Name 3-Chlorothioanisole
Alternate Name(s) 3-Chlorophenyl Methyl Sulfide 1-Chloro-3-(methylsulfanyl)benzene (3-Chlorophenyl)(methyl)sulfane 1-Chloro-3-methylsulfanylbenzene 1-Chloro-3-methylsulfanyl-benzene 1-Chloranyl-3-methylsulfanyl-benzene
CAS Registry Number 4867-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7ClS
InChI InChI=1S/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey PTGSDZVASWKUHK-UHFFFAOYSA-N
Molecular Weight 158.646 g/mol
SMILES c1c(SC)cccc1Cl
SPLASH splash10-0a4i-0900000000-72e776b51674f80b154a
Source of Spectrum F5-6-758-B
Wiley ID 1733421