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3-(chloromethyl)-2-phenyl-1-benzothiopyran-4-one
SpectraBase Compound ID 4U4Gx8lzmJd
InChI InChI=1S/C16H11ClOS/c17-10-13-15(18)12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey YLLRSLYURDRBRP-UHFFFAOYSA-N
Mol Weight 286.78 g/mol
Molecular Formula C16H11ClOS
Exact Mass 286.021914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0t6dvGcrAW
Name 3-(chloromethyl)-2-phenyl-1-benzothiopyran-4-one
Alternate Name(s) 3-(chloromethyl)-2-phenyl-thiochromen-4-one
CAS Registry Number 93367-51-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClOS
InChI InChI=1S/C16H11ClOS/c17-10-13-15(18)12-8-4-5-9-14(12)19-16(13)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey YLLRSLYURDRBRP-UHFFFAOYSA-N
Molecular Weight 286.776 g/mol
SMILES C1(=C(Sc2c(C1=O)cccc2)c1ccccc1)CCl
SPLASH splash10-0udi-0090000000-43faf61fe2a447e43f6a
Source of Spectrum AJ-57-2324-2
Wiley ID 1289740