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(1-C-13)-PARA-TOLUENE-SULFONYL-METHYL-ISOCYANIDE
SpectraBase Compound ID 1nuaSQLeuHz
InChI InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3/i2+1
InChIKey CFOAUYCPAUGDFF-VQEHIDDOSA-N
Mol Weight 196.23 g/mol
Molecular Formula C813CH9NO2S
Exact Mass 196.038755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hd8TG5lvkM4
Name (1-C-13)-PARA-TOLUENE-SULFONYL-METHYL-ISOCYANIDE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C813CH9NO2S
InChI InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3/i2+1
InChIKey CFOAUYCPAUGDFF-VQEHIDDOSA-N
Literature Reference Author J.J.CAPPON,K.D.WITTERS,J.BAART,P.J.E.VERDEGEM,A.C.HOEK,R.J.H .LUITEN,J.RAAP,J.LUG
Literature Reference Citation REC.TR.CH.P.-B.,113,318(1994)
Literature Reference DOI 10.1002/recl.19941130603
Molecular Weight 196.228 g/mol
Solvent CDCl3
Source File Reference UWRK1234