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N-(3-[4-Hexahydro-azepino-2-butynyl]-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
SpectraBase Compound ID 4Q9k9c4VcUa
InChI InChI=1S/C20H24N4OS/c1-17-22-24(16-10-9-15-23-13-7-2-3-8-14-23)20(26-17)21-19(25)18-11-5-4-6-12-18/h4-6,11-12H,2-3,7-8,13-16H2,1H3/b21-20-
InChIKey PVSSRUMNUUHDQN-MRCUWXFGSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H24N4OS
Exact Mass 368.167083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KQGhRnZr3d
Name N-(3-[4-Hexahydro-azepino-2-butynyl]-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
CAS Registry Number 103834-63-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H24N4OS
InChI InChI=1S/C20H24N4OS/c1-17-22-24(16-10-9-15-23-13-7-2-3-8-14-23)20(26-17)21-19(25)18-11-5-4-6-12-18/h4-6,11-12H,2-3,7-8,13-16H2,1H3/b21-20-
InChIKey PVSSRUMNUUHDQN-MRCUWXFGSA-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