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3-Acetylthio-4-butyl-3-pyrazoline-5-thione

View entire compound with spectra: 1 NMR

3-Acetylthio-4-butyl-3-pyrazoline-5-thione
SpectraBase Compound ID 7x6qOy2NNEh
InChI InChI=1S/C21H22N2OS2/c1-3-4-15-19-20(25)22(17-11-7-5-8-12-17)23(21(19)26-16(2)24)18-13-9-6-10-14-18/h5-14H,3-4,15H2,1-2H3
InChIKey WOFHQXOHUNSJMQ-UHFFFAOYSA-N
Mol Weight 382.54 g/mol
Molecular Formula C21H22N2OS2
Exact Mass 382.117356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsRnJ24X38t
Name 3-Acetylthio-4-butyl-3-pyrazoline-5-thione
CAS Registry Number 86636-27-3
Comments HX-360 OR CFT 20
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22N2OS2
InChI InChI=1S/C21H22N2OS2/c1-3-4-15-19-20(25)22(17-11-7-5-8-12-17)23(21(19)26-16(2)24)18-13-9-6-10-14-18/h5-14H,3-4,15H2,1-2H3
InChIKey WOFHQXOHUNSJMQ-UHFFFAOYSA-N
Instrument Name Bruker HX-360
Literature Reference S. Scheibye, A.A. El-Barbary, Tetrahedron 38, 3753 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3