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3-Methyl-isothiazole

View entire compound with spectra: 7 NMR, 1 FTIR, and 1 MS (GC)

3-Methyl-isothiazole
SpectraBase Compound ID DBcmDT9zFEW
InChI InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3
InChIKey WOTIUKDGJBXFLG-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5btoeLOdQGe
Name 3-METHYLISOTHIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3
InChIKey WOTIUKDGJBXFLG-UHFFFAOYSA-N
Literature Reference Author R.FAURE,J.-R.LLINAS,E.-J.VINCENT,M.RAJZMANN
Literature Reference Citation CAN.J.CHEM.,53,1677(1975)
Literature Reference DOI 10.1139/v75-236
Molecular Weight 99.150 g/mol
Solvent ACETONE-D6
Source File Reference UNIW11221