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3-(chloromethyl)-2-methyl-1-benzothiopyran-4-one
SpectraBase Compound ID MuvrhiHRur
InChI InChI=1S/C11H9ClOS/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3
InChIKey KCRHRXKWESGUKV-UHFFFAOYSA-N
Mol Weight 224.7 g/mol
Molecular Formula C11H9ClOS
Exact Mass 224.006264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ew3cckfUNCK
Name 3-(chloromethyl)-2-methyl-1-benzothiopyran-4-one
CAS Registry Number 93367-52-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9ClOS
InChI InChI=1S/C11H9ClOS/c1-7-9(6-12)11(13)8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3
InChIKey KCRHRXKWESGUKV-UHFFFAOYSA-N
Molecular Weight 224.705 g/mol
SMILES C1(=O)c2c(cccc2)SC(=C1CCl)C
SPLASH splash10-01p9-0920000000-a51176cd1fce5f966b98
Source of Spectrum AJ-57-2324-2
Synonyms 3-(chloromethyl)-2-methyl-thiochromen-4-one
Wiley ID 1224656