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4-[2,2-dimethyl-4-(isopropylhtio)-5-phenyl-2H-pyrrol-3-yl]-2-picoline
SpectraBase Compound ID DcxKV2qZrpv
InChI InChI=1S/C21H24N2S/c1-14(2)24-20-18(17-11-12-22-15(3)13-17)21(4,5)23-19(20)16-9-7-6-8-10-16/h6-14H,1-5H3
InChIKey DKFRMEBRLHVXNY-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H24N2S
Exact Mass 336.16602 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8bqs2hYCJC9
Name 4-[2,2-DIMETHYL-4-(ISOPROPYLTHIO)-5-PHENYL-2H-PYRROL-3-YL]-2-PICOLINE
Source of Sample U. Fischer, F. Hoffmann-La Roche & Company, Ltd., Basel, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2S
InChI InChI=1S/C21H24N2S/c1-14(2)24-20-18(17-11-12-22-15(3)13-17)21(4,5)23-19(20)16-9-7-6-8-10-16/h6-14H,1-5H3
InChIKey DKFRMEBRLHVXNY-UHFFFAOYSA-N
Literature Reference HELV. CHIM. ACTA 66, 971(1983) Abstract-Chemical Abstracts= 99, 105144X(1983)
Melting Point 97.5-98.5C
Molecular Weight 336.497009
Synonyms 2-PICOLINE, 4-/2,2-DIMETHYL-4-/ISO- PROPYLTHIO/-5-PHENYL-2H-PYRROL-3-YL/-,
Technique KBr WAFER