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(E)-2-(2-[1-Pyrrolidinyl]-benzo(B)thien-3-yl)-2-butene-dinitrile
SpectraBase Compound ID 2ZEH7LpGSFY
InChI InChI=1S/C16H13N3S/c17-8-7-12(11-18)15-13-5-1-2-6-14(13)20-16(15)19-9-3-4-10-19/h1-2,5-7H,3-4,9-10H2/b12-7+
InChIKey VVQBPAXYUYXJPV-KPKJPENVSA-N
Mol Weight 279.36 g/mol
Molecular Formula C16H13N3S
Exact Mass 279.083019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62s4lmiJtqb
Name (E)-2-(2-[1-Pyrrolidinyl]-benzo(B)thien-3-yl)-2-butene-dinitrile
CAS Registry Number 85923-95-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c17-8-7-12(11-18)15-13-5-1-2-6-14(13)20-16(15)19-9-3-4-10-19/h1-2,5-7H,3-4,9-10H2/b12-7+
InChIKey VVQBPAXYUYXJPV-KPKJPENVSA-N
Instrument Name Varian XL-100
Literature Reference D.N. Reinhoudt, G.W. Visser, W. Verboom, J. Am. Chem. Soc. 105, 4775 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3