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N-(3-[4-Octahydro-azocino-2-butynyl]-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
SpectraBase Compound ID 67pHqCuY0y0
InChI InChI=1S/C21H26N4OS/c1-18-23-25(17-11-10-16-24-14-8-3-2-4-9-15-24)21(27-18)22-20(26)19-12-6-5-7-13-19/h5-7,12-13H,2-4,8-9,14-17H2,1H3/b22-21-
InChIKey YRWQWDAJEBKWEC-DQRAZIAOSA-N
Mol Weight 382.53 g/mol
Molecular Formula C21H26N4OS
Exact Mass 382.182733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMEgOynKbsL
Name N-(3-[4-Octahydro-azocino-2-butynyl]-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
CAS Registry Number 103826-79-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26N4OS
InChI InChI=1S/C21H26N4OS/c1-18-23-25(17-11-10-16-24-14-8-3-2-4-9-15-24)21(27-18)22-20(26)19-12-6-5-7-13-19/h5-7,12-13H,2-4,8-9,14-17H2,1H3/b22-21-
InChIKey YRWQWDAJEBKWEC-DQRAZIAOSA-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