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2-CARBOXY-3-CYANETHYL-2H,3H-BENZO-[B]-THIOPHENE
SpectraBase Compound ID 9aNvGwt1DCc
InChI InChI=1S/C11H9NO2S/c12-6-5-8-7-3-1-2-4-9(7)15-10(8)11(13)14/h1-4,8,10H,5H2,(H,13,14)
InChIKey QYFRHDIQRLLLMN-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C11H9NO2S
Exact Mass 219.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mh62aeyVl0
Name 2-CARBOXY-3-CYANETHYL-2H,3H-BENZO-[B]-THIOPHENE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9NO2S
InChI InChI=1S/C11H9NO2S/c12-6-5-8-7-3-1-2-4-9(7)15-10(8)11(13)14/h1-4,8,10H,5H2,(H,13,14)
InChIKey QYFRHDIQRLLLMN-UHFFFAOYSA-N
Literature Reference Author K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI 10.1021/jo0056848
Molecular Weight 219.258 g/mol
Solvent CDCl3
Source File Reference UWVN26284