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N-(3-[4-(2-Methyl-piperidino)-2-butynyl]-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
SpectraBase Compound ID BVyX4VaOwx
InChI InChI=1S/C22H28N4OS/c1-3-11-20-24-26(17-10-9-16-25-15-8-7-12-18(25)2)22(28-20)23-21(27)19-13-5-4-6-14-19/h4-6,13-14,18H,3,7-8,11-12,15-17H2,1-2H3/b23-22-
InChIKey OCAABWBUMUJZRV-FCQUAONHSA-N
Mol Weight 396.55 g/mol
Molecular Formula C22H28N4OS
Exact Mass 396.198383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9wpWEUpyRO
Name N-(3-[4-(2-Methyl-piperidino)-2-butynyl]-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
CAS Registry Number 103826-75-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28N4OS
InChI InChI=1S/C22H28N4OS/c1-3-11-20-24-26(17-10-9-16-25-15-8-7-12-18(25)2)22(28-20)23-21(27)19-13-5-4-6-14-19/h4-6,13-14,18H,3,7-8,11-12,15-17H2,1-2H3/b23-22-
InChIKey OCAABWBUMUJZRV-FCQUAONHSA-N
Instrument Name Varian FT-80
Literature Reference S.R. Salman, Z. Muhi-Eldeen, A.H.Yasin, Magn. Res. Chem. 24, 271 (1986).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3