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N-2-PYRIDYLMETHYL-4-(DIMETHYLAMINO)-BENZENECARBOTHIOAMIDE
SpectraBase Compound ID LSIGwBxUSWb
InChI InChI=1S/2C15H17N3S/c2*1-18(2)14-8-6-12(7-9-14)15(19)17-11-13-5-3-4-10-16-13/h2*3-10H,11H2,1-2H3,(H,17,19)
InChIKey GSRDRUBDSLAKSJ-UHFFFAOYSA-N
Mol Weight 542.76 g/mol
Molecular Formula C30H34N6S2
Exact Mass 542.228637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VFyfXY3JuX
Name N-2-PYRIDYLMETHYL-4-(DIMETHYLAMINO)-BENZENECARBOTHIOAMIDE
Compound Number 1H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34N6S2
InChI InChI=1S/2C15H17N3S/c2*1-18(2)14-8-6-12(7-9-14)15(19)17-11-13-5-3-4-10-16-13/h2*3-10H,11H2,1-2H3,(H,17,19)
InChIKey GSRDRUBDSLAKSJ-UHFFFAOYSA-N
Literature Reference Author F.SHIBAHARA,A.KITAGAWA,E.YAMAGUCHI,T.MURAI
Literature Reference Citation ORG.LETTERS,8,5621(2006)
Literature Reference DOI 10.1021/ol0623623
Molecular Weight 542.760 g/mol
Sample ID 59765
Solvent CDCl3