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3-METHYL-1,4-THIAZANE;MINOR_CONFORMATION_1
SpectraBase Compound ID 73uU4SSMX5Y
InChI InChI=1S/C5H11NS/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey MHHCLPHGZOISFK-YFKPBYRVSA-N
Mol Weight 117.21 g/mol
Molecular Formula C5H11NS
Exact Mass 117.061221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hmVtWXV1o6
Name 3-METHYL-1,4-THIAZANE;MINOR_CONFORMATION_1
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H11NS
InChI InChI=1S/C5H11NS/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey MHHCLPHGZOISFK-YFKPBYRVSA-N
Literature Reference Author M.T.GALLEGO,E.BRUNET,J.L.G.RUANO,E.L.ELIEL
Literature Reference Citation J.ORG.CHEM.,58,3905(1993)
Literature Reference DOI 10.1021/jo00067a023
Molecular Weight 117.209 g/mol
Solvent CD2Cl2
Source File Reference UWMZ3630