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3,5-bis[(p-nitrobenzyl)thio]-4-isothiazolecarbonitrile

View entire compound with spectra: 1 NMR, and 1 FTIR

3,5-bis[(p-nitrobenzyl)thio]-4-isothiazolecarbonitrile
SpectraBase Compound ID 7SgahB1XHcb
InChI InChI=1S/C18H12N4O4S3/c19-9-16-17(27-10-12-1-5-14(6-2-12)21(23)24)20-29-18(16)28-11-13-3-7-15(8-4-13)22(25)26/h1-8H,10-11H2
InChIKey MORIEZVIIBHGJZ-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C18H12N4O4S3
Exact Mass 444.002068 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Fk7L8L8ehBh
Name 3,5-BIS[(p-NITROBENZYL)THIO]-4-ISOTHIAZOLECARBONITRILE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N4O4S3
InChI InChI=1S/C18H12N4O4S3/c19-9-16-17(27-10-12-1-5-14(6-2-12)21(23)24)20-29-18(16)28-11-13-3-7-15(8-4-13)22(25)26/h1-8H,10-11H2
InChIKey MORIEZVIIBHGJZ-UHFFFAOYSA-N
Melting Point 151-154C
Molecular Weight 444.497986
Synonyms 4-ISOTHIAZOLECARBONITRILE, 3,5-BIS- //P-NITROBENZYL/THIO/-,
Technique KBr WAFER