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2-(METHYLSULFINYL)-1-METHOXY-1-(2-PYRAZYL)-ETHANE
SpectraBase Compound ID JKTg46KQmRq
InChI InChI=1S/C8H12N2O2S/c1-12-8(6-13(2)11)7-5-9-3-4-10-7/h3-5,8H,6H2,1-2H3/t8-,13?/m0/s1
InChIKey ZRVQWMMUHXUNPG-OADYLZGLSA-N
Mol Weight 200.26 g/mol
Molecular Formula C8H12N2O2S
Exact Mass 200.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRUWeEWWC74
Name 2-(METHYLSULFINYL)-1-METHOXY-1-(2-PYRAZYL)-ETHANE
Compound Number 4C-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12N2O2S
InChI InChI=1S/C8H12N2O2S/c1-12-8(6-13(2)11)7-5-9-3-4-10-7/h3-5,8H,6H2,1-2H3/t8-,13?/m0/s1
InChIKey ZRVQWMMUHXUNPG-OADYLZGLSA-N
Literature Reference Author C.ALVAREZ-IBARRA,R.CUERVO-RODRIGUEZ,M.C.FERNANDEZ-MONREAL,M. P.RUIZ
Literature Reference Citation J.ORG.CHEM.,59,7284(1994)
Literature Reference DOI 10.1021/jo00103a019
Molecular Weight 200.255 g/mol
Solvent CDCl3
Source File Reference UWCP7520