John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=SPLRkLIKfT SpectraBase Spectrum ID=2UYW1VFR16x

(accessed ).
5-Amino-1-(2-[2,6-dichloro-phenoxy]-ethyl)-3-methylthio-1,2,4-triazole
SpectraBase Compound ID SPLRkLIKfT
InChI InChI=1S/C11H12Cl2N4OS/c1-19-11-15-10(14)17(16-11)5-6-18-9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3,(H2,14,15,16)
InChIKey MXBHECFTVCQWSE-UHFFFAOYSA-N
Mol Weight 319.21 g/mol
Molecular Formula C11H12Cl2N4OS
Exact Mass 318.010888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UYW1VFR16x
Name 5-AMINO-1-(2-(2,6-DICHLOROPHENOXY)-ETHYL)-3-METHYLTHIO-1,2,4-TRIAZOLE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12Cl2N4OS
InChI InChI=1S/C11H12Cl2N4OS/c1-19-11-15-10(14)17(16-11)5-6-18-9-7(12)3-2-4-8(9)13/h2-4H,5-6H2,1H3,(H2,14,15,16)
InChIKey MXBHECFTVCQWSE-UHFFFAOYSA-N
Literature Reference Author P.DVORTSAK,J.REITER,T.SOMORAI,P.SOHAR
Literature Reference Citation MAGN.RES.CHEM.,23,194(1985)
Literature Reference DOI 10.1002/mrc.1260230313
Molecular Weight 319.208 g/mol
Solvent DMSO
Source File Reference UNIW12194
SpectraBase Batch ID 2aNdnCKoLLm