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1,3-Dimethyl-3-(2,5-dimethylthien-3-yl)-2-thiabicyclo-[3.2.0]-hepta-6-ene-6,7-dicarbonitrile

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1,3-Dimethyl-3-(2,5-dimethylthien-3-yl)-2-thiabicyclo-[3.2.0]-hepta-6-ene-6,7-dicarbonitrile
SpectraBase Compound ID Fw4SPVSlrIM
InChI InChI=1S/C16H16N2S2/c1-9-5-12(10(2)19-9)15(3)6-13-11(7-17)14(8-18)16(13,4)20-15/h5,13H,6H2,1-4H3/t13-,15?,16-/m0/s1
InChIKey HHDPIDCEEHAAEL-VFDRBLODSA-N
Mol Weight 300.44 g/mol
Molecular Formula C16H16N2S2
Exact Mass 300.075491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BvdcpSfxTWB
Name 1,3-Dimethyl-3-(2,5-dimethylthien-3-yl)-2-thiabicyclo-[3.2.0]-hepta-6-ene-6,7-dicarbonitrile
CAS Registry Number 80243-16-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16N2S2
InChI InChI=1S/C16H16N2S2/c1-9-5-12(10(2)19-9)15(3)6-13-11(7-17)14(8-18)16(13,4)20-15/h5,13H,6H2,1-4H3/t13-,15?,16-/m0/s1
InChIKey HHDPIDCEEHAAEL-VFDRBLODSA-N
Instrument Name SF = 080 MHz
Literature Reference J. Org. Chem. 47, 967 (1982).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3