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ETHYL-2-CYANO-3-(CYANOAMINO)-3-(METHYLTHIO)-ACRYLATE-SODIUM-SALT
SpectraBase Compound ID 9g14cWNoY7d
InChI InChI=1S/C8H11N3O2S.Na/c1-3-13-8(12)6(4-9)7(14-2)11-5-10;/h6-7,11H,3H2,1-2H3;/q;+1
InChIKey IAHMGXCXWFKJLM-UHFFFAOYSA-N
Mol Weight 236.24 g/mol
Molecular Formula C8H11N3NaO2S
Exact Mass 236.046967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9SxLTTfrYLk
Name ETHYL-2-CYANO-3-(CYANOAMINO)-3-(METHYLTHIO)-ACRYLATE-SODIUM-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11N3NaO2S
InChI InChI=1S/C8H11N3O2S.Na/c1-3-13-8(12)6(4-9)7(14-2)11-5-10;/h6-7,11H,3H2,1-2H3;/q;+1
InChIKey IAHMGXCXWFKJLM-UHFFFAOYSA-N
Literature Reference Author H.KRISTINSSON,T.WINKLER,G.RIHS,H.FRITZ
Literature Reference Citation HELV.CHIM.ACTA,68,1155(1985)
Literature Reference DOI 10.1002/hlca.19850680510
Molecular Weight 236.244 g/mol
Solvent DMSO-D6
Source File Reference UWCS5246