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3-(chloromethyl)-8-methyl-2-phenyl-1-benzothiopyran-4-one
SpectraBase Compound ID KseFgqg1rEO
InChI InChI=1S/C17H13ClOS/c1-11-6-5-9-13-15(19)14(10-18)17(20-16(11)13)12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKey RLSRQFXGAKLROS-UHFFFAOYSA-N
Mol Weight 300.8 g/mol
Molecular Formula C17H13ClOS
Exact Mass 300.037564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NJCORPVcYw
Name 3-(chloromethyl)-8-methyl-2-phenyl-1-benzothiopyran-4-one
CAS Registry Number 93367-34-1
Comments Less than 3 mono-isotopic peaks
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Formula C17H13ClOS
InChI InChI=1S/C17H13ClOS/c1-11-6-5-9-13-15(19)14(10-18)17(20-16(11)13)12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKey RLSRQFXGAKLROS-UHFFFAOYSA-N
Molecular Weight 300.803 g/mol
SMILES C(Cl)C1=C(Sc2c(cccc2C1=O)C)c1ccccc1
SPLASH splash10-0j4i-0093000000-c8d83aeedd2964e7b8b0
Source of Spectrum AJ-57-2324-2
Synonyms 3-(chloromethyl)-8-methyl-2-phenyl-thiochromen-4-one
Wiley ID 1302851