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7-[4-(difluoromethoxy)phenyl]-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SpectraBase Compound ID 4I99eUT0fE6
InChI InChI=1S/C24H18F2N2O2S3/c1-13-14(2)32-22(31-13)20-21(29)28-19(16-6-4-3-5-7-16)12-18(27-24(28)33-20)15-8-10-17(11-9-15)30-23(25)26/h3-12,19,23H,1-2H3
InChIKey KARJUVGFSSETDB-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C24H18F2N2O2S3
Exact Mass 500.049848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1bpnf9roT2
Name 7-[4-(difluoromethoxy)phenyl]-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18F2N2O2S3
InChI InChI=1S/C24H18F2N2O2S3/c1-13-14(2)32-22(31-13)20-21(29)28-19(16-6-4-3-5-7-16)12-18(27-24(28)33-20)15-8-10-17(11-9-15)30-23(25)26/h3-12,19,23H,1-2H3
InChIKey KARJUVGFSSETDB-UHFFFAOYSA-N
Molecular Weight 500.597 g/mol
SMILES C1=C(c2ccc(cc2)OC(F)F)N=C2N(C(C(S2)=C2SC(=C(S2)C)C)=O)C1c1ccccc1
SPLASH splash10-00di-1940110000-bda2425c901c1ccc630a
Synonyms 7-[4-[bis(fluoranyl)methoxy]phenyl]-2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Wiley ID 1444365