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4-OXO-delta2,alpha-THIAZOLIDINEACETONITRILE
SpectraBase Compound ID JPsnTOBgKyq
InChI InChI=1S/C5H4N2OS/c6-2-1-5-7-4(8)3-9-5/h1H,3H2,(H,7,8)/b5-1+
InChIKey XNPSUGRTBYMMPB-ORCRQEGFSA-N
Mol Weight 140.16 g/mol
Molecular Formula C5H4N2OS
Exact Mass 140.004434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwkhmlgDXSK
Name 4-OXO-delta2,alpha-THIAZOLIDINEACETONITRILE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1984)
CAS Registry Number 3364-82-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N2OS
InChI InChI=1S/C5H4N2OS/c6-2-1-5-7-4(8)3-9-5/h1H,3H2,(H,7,8)/b5-1+
InChIKey XNPSUGRTBYMMPB-ORCRQEGFSA-N
Molecular Weight 140.16
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker AM-270
Synonyms THIAZOLIDINEACETONITRILE, D<2,A-, 4-OXO-,