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thiobenzoic acid S-[2-(acetyl-cyano-amino)ethyl] ester

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thiobenzoic acid S-[2-(acetyl-cyano-amino)ethyl] ester
SpectraBase Compound ID 8dnNTU9UZGv
InChI InChI=1S/C12H12N2O2S/c1-10(15)14(9-13)7-8-17-12(16)11-5-3-2-4-6-11/h2-6H,7-8H2,1H3
InChIKey KFNWGWSTSPOFKK-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6HurH6o5wz
Name thiobenzoic acid S-[2-(acetyl-cyano-amino)ethyl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-10(15)14(9-13)7-8-17-12(16)11-5-3-2-4-6-11/h2-6H,7-8H2,1H3
InChIKey KFNWGWSTSPOFKK-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 248.299 g/mol
Source File Reference MHKO11658