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Sisymbrin
SpectraBase Compound ID EYjpiJSHlUf
InChI InChI=1S/C4H7NOS/c1-3-2-6-4(7)5-3/h3H,2H2,1H3,(H,5,7)
InChIKey QNUJAWVJHFZSNW-UHFFFAOYSA-N
Mol Weight 117.17 g/mol
Molecular Formula C4H7NOS
Exact Mass 117.024835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ELKuci0Tci
Name SISYMBRIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H7NOS
InChI InChI=1S/C4H7NOS/c1-3-2-6-4(7)5-3/h3H,2H2,1H3,(H,5,7)
InChIKey QNUJAWVJHFZSNW-UHFFFAOYSA-N
Literature Reference Author J.JURENITSCH,W.M.DEICHSTETTER,W.ROBIEN,W.KUBELKA
Literature Reference Citation SCI.PHARM.,53,163(1985)
Molecular Weight 117.166 g/mol
Solvent CDCl3
Source File Reference UNIW12391