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4,4-Tetramethylene-7-benzylidene-3,4,5,6-tetrahydro-cyclopentapyrimidine-2(1H)-thione

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4,4-Tetramethylene-7-benzylidene-3,4,5,6-tetrahydro-cyclopentapyrimidine-2(1H)-thione
SpectraBase Compound ID CEvq4Sky6hy
InChI InChI=1S/C18H20N2S/c21-17-19-16-14(12-13-6-2-1-3-7-13)8-9-15(16)18(20-17)10-4-5-11-18/h1-3,6-7,12H,4-5,8-11H2,(H2,19,20,21)/b14-12+
InChIKey ILVULFWQFLNCGK-WYMLVPIESA-N
Mol Weight 296.43 g/mol
Molecular Formula C18H20N2S
Exact Mass 296.13472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6E7SuR6WGC0
Name 4,4-Tetramethylene-7-benzylidene-3,4,5,6-tetrahydro-cyclopentapyrimidine-2(1H)-thione
CAS Registry Number 53364-86-6
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H20N2S
InChI InChI=1S/C18H20N2S/c21-17-19-16-14(12-13-6-2-1-3-7-13)8-9-15(16)18(20-17)10-4-5-11-18/h1-3,6-7,12H,4-5,8-11H2,(H2,19,20,21)/b14-12+
InChIKey ILVULFWQFLNCGK-WYMLVPIESA-N
Instrument Name Bruker HX-90
Literature Reference J. Mirek, T.A. Holak, Chemica Scripta 22, 133 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6