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4-cyclopropyl-6-(methylthio)-2-(alpha,alpha,lapha-trifluoro-p-tolyl)-5-pyrimidinecarbonitrile
SpectraBase Compound ID 5BInVpG7jJa
InChI InChI=1S/C16H12F3N3S/c1-23-15-12(8-20)13(9-2-3-9)21-14(22-15)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3H2,1H3
InChIKey AGVVLNOJCKJNJZ-UHFFFAOYSA-N
Mol Weight 335.35 g/mol
Molecular Formula C16H12F3N3S
Exact Mass 335.070403 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6fHWyclI1zk
Name 4-CYCLOPROPYL-6-(METHYLTHIO)-2-(alpha,alpha,alpha-TRIFLUORO-p-TOLYL)-5-PYRIMIDINECARBONITRILE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number KM 1781
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3N3S
InChI InChI=1S/C16H12F3N3S/c1-23-15-12(8-20)13(9-2-3-9)21-14(22-15)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3H2,1H3
InChIKey AGVVLNOJCKJNJZ-UHFFFAOYSA-N
Melting Point 227-229.5C
Molecular Weight 335.352997
Synonyms 5-PYRIMIDINECARBONITRILE, 4-CYCLO- PROPYL-6-/METHYLTHIO/-2-/A,A,A-TRI- FLUORO-P-TOLYL/-,
Technique KBr WAFER