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5-amino-3-methyl-4-isothiazolecarbonitrile
SpectraBase Compound ID jMnyY1W6yQ
InChI InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey PJQFZPWSFDVYIF-UHFFFAOYSA-N
Mol Weight 139.18 g/mol
Molecular Formula C5H5N3S
Exact Mass 139.020418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UjkznCYyq0
Name 5-AMINO-3-METHYL-4-ISOTHIAZOLECARBONITRILE
Source of Sample A. M. Chippendale ICI Organic Division, Manchester (1979)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N3S
InChI InChI=1S/C5H5N3S/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChIKey PJQFZPWSFDVYIF-UHFFFAOYSA-N
Molecular Weight 139.18
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms 4-ISOTHIAZOLECARBONITRILE, 5-AMINO- 3-METHYL-,