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(E)-3-(2-[1-Pyrrolidinyl]-benzo(B)thien-3-yl)-propenoic acid, methyl ester

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(E)-3-(2-[1-Pyrrolidinyl]-benzo(B)thien-3-yl)-propenoic acid, methyl ester
SpectraBase Compound ID Br8aB6cJz0P
InChI InChI=1S/C16H17NO2S/c1-19-15(18)9-8-13-12-6-2-3-7-14(12)20-16(13)17-10-4-5-11-17/h2-3,6-9H,4-5,10-11H2,1H3/b9-8+
InChIKey MDYDFFGYOMFICI-CMDGGOBGSA-N
Mol Weight 287.38 g/mol
Molecular Formula C16H17NO2S
Exact Mass 287.098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJxdqeBUe9E
Name (E)-3-(2-[1-Pyrrolidinyl]-benzo(B)thien-3-yl)-propenoic acid, methyl ester
CAS Registry Number 85923-94-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H17NO2S
InChI InChI=1S/C16H17NO2S/c1-19-15(18)9-8-13-12-6-2-3-7-14(12)20-16(13)17-10-4-5-11-17/h2-3,6-9H,4-5,10-11H2,1H3/b9-8+
InChIKey MDYDFFGYOMFICI-CMDGGOBGSA-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