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(4-Cyano-4,5,6,7-tetrahydro-benzo[B]thiophen-4-yl)-propanedinitrile

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(4-Cyano-4,5,6,7-tetrahydro-benzo[B]thiophen-4-yl)-propanedinitrile
SpectraBase Compound ID 1fxH8zYke3P
InChI InChI=1S/C12H9N3S/c13-6-9(7-14)12(8-15)4-1-2-11-10(12)3-5-16-11/h3,5,9H,1-2,4H2
InChIKey ANFKQQAXTCKGCU-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C12H9N3S
Exact Mass 227.051718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5d33bAtwFtq
Name (4-Cyano-4,5,6,7-tetrahydro-benzo[B]thiophen-4-yl)-propanedinitrile
CAS Registry Number 89434-50-4
Comments SHIFTS FOR ATOMS 5 TO 12 ASSIGNED BY DKFZ
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H9N3S
InChI InChI=1S/C12H9N3S/c13-6-9(7-14)12(8-15)4-1-2-11-10(12)3-5-16-11/h3,5,9H,1-2,4H2
InChIKey ANFKQQAXTCKGCU-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference P. Stanetty, H. Froehlich, Arch. Pharm. 317, 168 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3