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4,5-DIHYDRO-4-(METHOXYCARBONYL)-1,1-DIMETHYL-3-(METHYLTHIO)-5-OXO-1H-PYRAZOLO-1-IUM-4-IDE
SpectraBase Compound ID Hlrnhf6qjYd
InChI InChI=1S/C8H13N2O3S/c1-10(2)7(11)5(8(12)13-3)6(9-10)14-4/h5H,1-4H3/q+1
InChIKey ZSYTUFPTNRTMHO-UHFFFAOYSA-N
Mol Weight 217.26 g/mol
Molecular Formula C8H13N2O3S
Exact Mass 217.064688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ8vIpkTlCr
Name 4,5-DIHYDRO-4-(METHOXYCARBONYL)-1,1-DIMETHYL-3-(METHYLTHIO)-5-OXO-1H-PYRAZOLO-1-IUM-4-IDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H13N2O3S
InChI InChI=1S/C8H13N2O3S/c1-10(2)7(11)5(8(12)13-3)6(9-10)14-4/h5H,1-4H3/q+1
InChIKey ZSYTUFPTNRTMHO-UHFFFAOYSA-N
Literature Reference Author R.NEIDLEIN,G.SCHROEDER,C.KRIEGER,D.KIKELJ
Literature Reference Citation HELV.CHIM.ACTA,75,1039(1992)
Literature Reference DOI 10.1002/hlca.19920750407
Molecular Weight 217.263 g/mol
Solvent CDCl3
Source File Reference UWCS8825