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3,5-bis[(p-methylphenacyl)thio]-4-isothiazolecarbonitrile
SpectraBase Compound ID 5712GzDwKKI
InChI InChI=1S/C22H18N2O2S3/c1-14-3-7-16(8-4-14)19(25)12-27-21-18(11-23)22(29-24-21)28-13-20(26)17-9-5-15(2)6-10-17/h3-10H,12-13H2,1-2H3
InChIKey IZLDKTMEMDTULS-UHFFFAOYSA-N
Mol Weight 438.58 g/mol
Molecular Formula C22H18N2O2S3
Exact Mass 438.053041 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID L0b7iY5htU2
Name 3,5-BIS[(p-METHYLPHENACYL)THIO]-4-ISOTHIAZOLECARBONITRILE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number CD 481
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N2O2S3
InChI InChI=1S/C22H18N2O2S3/c1-14-3-7-16(8-4-14)19(25)12-27-21-18(11-23)22(29-24-21)28-13-20(26)17-9-5-15(2)6-10-17/h3-10H,12-13H2,1-2H3
InChIKey IZLDKTMEMDTULS-UHFFFAOYSA-N
Melting Point 170-172C
Molecular Weight 438.578003
Synonyms 4-ISOTHIAZOLECARBONITRILE, 3,5-BIS- //P-METHYLPHENACYL/THIO/-,
Technique KBr WAFER