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[[4-(2-CYANOETHYL)-PHENYL]-THIO]-ACETIC-ACID

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[[4-(2-CYANOETHYL)-PHENYL]-THIO]-ACETIC-ACID
SpectraBase Compound ID EYW1j9M5YOI
InChI InChI=1S/C11H11NO2S/c12-7-1-2-9-3-5-10(6-4-9)15-8-11(13)14/h3-6H,1-2,8H2,(H,13,14)
InChIKey HRTWFJFGYRLLIN-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzcCy9ys07G
Name [[4-(2-CYANOETHYL)-PHENYL]-THIO]-ACETIC-ACID
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c12-7-1-2-9-3-5-10(6-4-9)15-8-11(13)14/h3-6H,1-2,8H2,(H,13,14)
InChIKey HRTWFJFGYRLLIN-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 221.274 g/mol
Solvent CDCl3
Source File Reference UWVN26265