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N-(3-[4-Hexahydro-azepino-2-butynyl]-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
SpectraBase Compound ID 9oLGLvKVbPx
InChI InChI=1S/C22H28N4OS/c1-2-12-20-24-26(18-11-10-17-25-15-8-3-4-9-16-25)22(28-20)23-21(27)19-13-6-5-7-14-19/h5-7,13-14H,2-4,8-9,12,15-18H2,1H3/b23-22-
InChIKey CSJBCBZWNSVSBY-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 7vgD5mfntUM
Name N-(3-[4-Hexahydro-azepino-2-butynyl]-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene)-benzamide
CAS Registry Number 103826-74-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28N4OS
InChI InChI=1S/C22H28N4OS/c1-2-12-20-24-26(18-11-10-17-25-15-8-3-4-9-16-25)22(28-20)23-21(27)19-13-6-5-7-14-19/h5-7,13-14H,2-4,8-9,12,15-18H2,1H3/b23-22-
InChIKey CSJBCBZWNSVSBY-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