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3-Chloro-3-cyano-3,4-dihydro-6-(4-nitro-phenyl)-4-(1-pyrrolidinyl)-2H-thiopyran

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3-Chloro-3-cyano-3,4-dihydro-6-(4-nitro-phenyl)-4-(1-pyrrolidinyl)-2H-thiopyran
SpectraBase Compound ID 8Wdc7e1Qndg
InChI InChI=1S/C16H16ClN3O2S/c17-16(10-18)11-23-14(9-15(16)19-7-1-2-8-19)12-3-5-13(6-4-12)20(21)22/h3-6,9,15H,1-2,7-8,11H2
InChIKey VYZIQWBCTZRATG-UHFFFAOYSA-N
Mol Weight 349.84 g/mol
Molecular Formula C16H16ClN3O2S
Exact Mass 349.065176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2kTnfZTEBZW
Name 3-Chloro-3-cyano-3,4-dihydro-6-(4-nitro-phenyl)-4-(1-pyrrolidinyl)-2H-thiopyran
CAS Registry Number 83576-06-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16ClN3O2S
InChI InChI=1S/C16H16ClN3O2S/c17-16(10-18)11-23-14(9-15(16)19-7-1-2-8-19)12-3-5-13(6-4-12)20(21)22/h3-6,9,15H,1-2,7-8,11H2
InChIKey VYZIQWBCTZRATG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.B. Rasmussen, R. Shabana, S.O. Lawesson, Tetrahedron 38, 1705 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3