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3-Furancarbonitrile, 4-[bis(methylthio)methyl]-2-(4-chlorophenyl)-5-phenyl-
SpectraBase Compound ID 65mppyhmZUJ
InChI InChI=1S/C20H16ClNOS2/c1-24-20(25-2)17-16(12-22)18(14-8-10-15(21)11-9-14)23-19(17)13-6-4-3-5-7-13/h3-11,20H,1-2H3
InChIKey CKAMFDWMVJPDAF-UHFFFAOYSA-N
Mol Weight 385.93 g/mol
Molecular Formula C20H16ClNOS2
Exact Mass 385.036184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyxncqtfQY5
Name 3-Furancarbonitrile, 4-[bis(methylthio)methyl]-2-(4-chlorophenyl)-5-phenyl-
CAS Registry Number 119091-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClNOS2
InChI InChI=1S/C20H16ClNOS2/c1-24-20(25-2)17-16(12-22)18(14-8-10-15(21)11-9-14)23-19(17)13-6-4-3-5-7-13/h3-11,20H,1-2H3
InChIKey CKAMFDWMVJPDAF-UHFFFAOYSA-N
Molecular Weight 385.927 g/mol
SMILES c1(c(c(-c2ccc(cc2)Cl)oc1-c1ccccc1)C#N)C(SC)SC
SPLASH splash10-000i-0009000000-363039212fc33937a62c
Source of Spectrum KC-1988-2368-13
Synonyms 4-bis(methylthio)methyl-2-(4-chlorophenyl)-5-phenylfuran-3-carbonitrile 4-[bis(methylsulfanyl)methyl]-2-(4-chlorophenyl)-5-phenyl-3-furonitrile
Wiley ID 1362180