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N-(3-[4-Octahydro-azocino-2-butynyl]-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
SpectraBase Compound ID 6Y4KLkzuAA9
InChI InChI=1S/C23H30N4OS/c1-2-13-21-25-27(19-12-11-18-26-16-9-4-3-5-10-17-26)23(29-21)24-22(28)20-14-7-6-8-15-20/h6-8,14-15H,2-5,9-10,13,16-19H2,1H3/b24-23-
InChIKey UQUKIMQRLAJZGR-VHXPQNKSSA-N
Mol Weight 410.58 g/mol
Molecular Formula C23H30N4OS
Exact Mass 410.214033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BgZkZBThF03
Name N-(3-[4-Octahydro-azocino-2-butynyl]-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
CAS Registry Number 103839-54-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H30N4OS
InChI InChI=1S/C23H30N4OS/c1-2-13-21-25-27(19-12-11-18-26-16-9-4-3-5-10-17-26)23(29-21)24-22(28)20-14-7-6-8-15-20/h6-8,14-15H,2-5,9-10,13,16-19H2,1H3/b24-23-
InChIKey UQUKIMQRLAJZGR-VHXPQNKSSA-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