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trans-10-Cyano-2,3,10,10a-tetrahydro-1H-(1)-benzothieno(3,2-B)pyrrolizine-10-acetonitrile
SpectraBase Compound ID 9rKggH7C6mm
InChI InChI=1S/C16H13N3S/c17-8-7-16(10-18)13-6-3-9-19(13)15-14(16)11-4-1-2-5-12(11)20-15/h1-2,4-5,13H,3,6-7,9H2
InChIKey AVGQWSWVHKGIHW-UHFFFAOYSA-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 J4cqI3T5IKA
Name trans-10-Cyano-2,3,10,10a-tetrahydro-1H-(1)-benzothieno(3,2-B)pyrrolizine-10-acetonitrile
CAS Registry Number 85924-03-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H13N3S
InChI InChI=1S/C16H13N3S/c17-8-7-16(10-18)13-6-3-9-19(13)15-14(16)11-4-1-2-5-12(11)20-15/h1-2,4-5,13H,3,6-7,9H2
InChIKey AVGQWSWVHKGIHW-UHFFFAOYSA-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