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5-(chloromethyl)-6-methoxy-2-phenyl-1-benzothiopyran-4-one
SpectraBase Compound ID FJWNBxxdQaf
InChI InChI=1S/C17H13ClO2S/c1-20-14-7-8-15-17(12(14)10-18)13(19)9-16(21-15)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey AKBDKFSYPCLUCV-UHFFFAOYSA-N
Mol Weight 316.8 g/mol
Molecular Formula C17H13ClO2S
Exact Mass 316.032479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xznQ52UyPp
Name 5-(chloromethyl)-6-methoxy-2-phenyl-1-benzothiopyran-4-one
CAS Registry Number 93367-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClO2S
InChI InChI=1S/C17H13ClO2S/c1-20-14-7-8-15-17(12(14)10-18)13(19)9-16(21-15)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey AKBDKFSYPCLUCV-UHFFFAOYSA-N
Molecular Weight 316.802 g/mol
SMILES C(Cl)c1c2c(ccc1OC)SC(c1ccccc1)=CC2=O
SPLASH splash10-0gb9-0092000000-089dd3a757d4485cb9ab
Source of Spectrum AJ-57-2324-2
Synonyms 5-(chloromethyl)-6-methoxy-2-phenyl-thiochromen-4-one
Wiley ID 1316636