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2-(CARBOXYETHYL)-3-(CYANOETHYL)-2H,3H-BENZO-[B]-THIOPHENE
SpectraBase Compound ID F0ZPwN8F7SE
InChI InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(7-8-14)9-5-3-4-6-11(9)17-12/h3-6,10,12H,2,7H2,1H3
InChIKey BJOWFEPOSKRWPM-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcQIwSLr82J
Name 2-(CARBOXYETHYL)-3-(CYANOETHYL)-2H,3H-BENZO-[B]-THIOPHENE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(7-8-14)9-5-3-4-6-11(9)17-12/h3-6,10,12H,2,7H2,1H3
InChIKey BJOWFEPOSKRWPM-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 247.312 g/mol
Solvent CDCl3
Source File Reference UWVN26283