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4-Butyl-3-(2-cyano-ethylthio)-3-pyrazoline-5-thione
SpectraBase Compound ID 4IF76VqJosB
InChI InChI=1S/C22H23N3S2/c1-2-3-15-20-21(26)24(18-11-6-4-7-12-18)25(19-13-8-5-9-14-19)22(20)27-17-10-16-23/h4-9,11-14H,2-3,10,15,17H2,1H3
InChIKey YNUQWXZPZHJZHS-UHFFFAOYSA-N
Mol Weight 393.57 g/mol
Molecular Formula C22H23N3S2
Exact Mass 393.13334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8XhW2kw75c
Name 4-Butyl-3-(2-cyano-ethylthio)-3-pyrazoline-5-thione
CAS Registry Number 86636-30-8
Comments HX-360 OR CFT 20
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H23N3S2
InChI InChI=1S/C22H23N3S2/c1-2-3-15-20-21(26)24(18-11-6-4-7-12-18)25(19-13-8-5-9-14-19)22(20)27-17-10-16-23/h4-9,11-14H,2-3,10,15,17H2,1H3
InChIKey YNUQWXZPZHJZHS-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