For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[3,5-bis(chloromethyl)-4-methoxy-phenyl]-3-(chloromethyl)thiochromen-4-one
SpectraBase Compound ID 3bmVwCDvlG6
InChI InChI=1S/C19H15Cl3O2S/c1-24-18-12(8-20)6-11(7-13(18)9-21)19-15(10-22)17(23)14-4-2-3-5-16(14)25-19/h2-7H,8-10H2,1H3
InChIKey SCUIWZBARQMFQY-UHFFFAOYSA-N
Mol Weight 413.75 g/mol
Molecular Formula C19H15Cl3O2S
Exact Mass 411.985834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BBvoNkFnYb1
Name 2-[3,5-bis(chloromethyl)-4-methoxy-phenyl]-3-(chloromethyl)thiochromen-4-one
CAS Registry Number 93367-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15Cl3O2S
InChI InChI=1S/C19H15Cl3O2S/c1-24-18-12(8-20)6-11(7-13(18)9-21)19-15(10-22)17(23)14-4-2-3-5-16(14)25-19/h2-7H,8-10H2,1H3
InChIKey SCUIWZBARQMFQY-UHFFFAOYSA-N
Molecular Weight 413.746 g/mol
SMILES C(Cl)C1=C(Sc2ccccc2C1=O)c1cc(c(OC)c(c1)CCl)CCl
SPLASH splash10-004l-0039200000-b86522076c1fbb60af68
Source of Spectrum AJ-57-2324-2
Synonyms 2-[3,5-bis(chloromethyl)-4-methoxyphenyl]-3-(chloromethyl)-1-benzothiopyran-4-one
Wiley ID 1374297