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N/1/-(2-Isopropyl-3-isopropylimino-4-methyl-1,2,4-thiadiazolidine-5-ylidene)-N/2/-phenyl-benzamidine
SpectraBase Compound ID IcCrY4Dx1s0
InChI InChI=1S/C22H27N5S/c1-16(2)23-21-26(5)22(28-27(21)17(3)4)25-20(18-12-8-6-9-13-18)24-19-14-10-7-11-15-19/h6-17H,1-5H3/b23-21+,24-20+,25-22-
InChIKey RWPLWMPISCBMNU-PTLJVKBISA-N
Mol Weight 393.55 g/mol
Molecular Formula C22H27N5S
Exact Mass 393.198717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc7hFxplpgT
Name N/1/-(2-Isopropyl-3-isopropylimino-4-methyl-1,2,4-thiadiazolidine-5-ylidene)-N/2/-phenyl-benzamidine
CAS Registry Number 69909-85-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H27N5S
InChI InChI=1S/C22H27N5S/c1-16(2)23-21-26(5)22(28-27(21)17(3)4)25-20(18-12-8-6-9-13-18)24-19-14-10-7-11-15-19/h6-17H,1-5H3/b23-21+,24-20+,25-22-
InChIKey RWPLWMPISCBMNU-PTLJVKBISA-N
Literature Reference J. Goerdeler, W. Loebach, Chem. Ber. 112, 517 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3