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4H-1-Benzothiopyran-4-one, 3-(chloromethyl)-2-[3-(chloromethyl)-4-methylphenyl]-
SpectraBase Compound ID EVvNJSW0xzj
InChI InChI=1S/C18H14Cl2OS/c1-11-6-7-12(8-13(11)9-19)18-15(10-20)17(21)14-4-2-3-5-16(14)22-18/h2-8H,9-10H2,1H3
InChIKey KEKOZFJXRBPCPH-UHFFFAOYSA-N
Mol Weight 349.28 g/mol
Molecular Formula C18H14Cl2OS
Exact Mass 348.014242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzGaIXkHZOx
Name 4H-1-Benzothiopyran-4-one, 3-(chloromethyl)-2-[3-(chloromethyl)-4-methylphenyl]-
CAS Registry Number 93367-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14Cl2OS
InChI InChI=1S/C18H14Cl2OS/c1-11-6-7-12(8-13(11)9-19)18-15(10-20)17(21)14-4-2-3-5-16(14)22-18/h2-8H,9-10H2,1H3
InChIKey KEKOZFJXRBPCPH-UHFFFAOYSA-N
Molecular Weight 349.275 g/mol
SMILES C1(=C(Sc2c(C1=O)cccc2)c1cc(CCl)c(cc1)C)CCl
SPLASH splash10-03fr-0049000000-4263b8bdc97d6e4a4def
Source of Spectrum AJ-57-2324-2
Synonyms 3-(chloromethyl)-2-(4'-methyl-3'-chloromethylphenyl)-4H-1-benzothiopyran-4-one 3-(chloromethyl)-2-[3-(chloromethyl)-4-methylphenyl]-4H-1-benzothiopyran-4-one
Wiley ID 1340490