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2-(PARA-NITROPHENYL)-5-METHYLIMINO-1,3,4-THIADIAZOLIDINE, PROTONATED(ISOMER 1)
SpectraBase Compound ID 2yaaJSmnTFQ
InChI InChI=1S/C9H10N4O2S/c1-10-9-12-11-8(16-9)6-2-4-7(5-3-6)13(14)15/h2-5,8,11H,1H3,(H,10,12)/p+1
InChIKey LZHZMQWRLKCUNP-UHFFFAOYSA-O
Mol Weight 239.27 g/mol
Molecular Formula C9H11N4O2S
Exact Mass 239.060272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75ojOHs2Arv
Name 2-(PARA-NITROPHENYL)-5-METHYLIMINO-1,3,4-THIADIAZOLIDINE, PROTONATED(ISOMER 2)
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Formula C9H11N4O2S
InChI InChI=1S/C9H10N4O2S/c1-10-9-12-11-8(16-9)6-2-4-7(5-3-6)13(14)15/h2-5,8,11H,1H3,(H,10,12)/p+1
InChIKey LZHZMQWRLKCUNP-UHFFFAOYSA-O
Instrument Name Tesla BS497
Literature Reference K.N.ZELENIN, O.B.KUZNETSOVA, P.B.TERENT'EV, V.N.TOROCHESHNIKOV, V.V.LASHIN,V.V.ALEKSEEV (1992) Khim.Heteroc.Soed.(Russ. Lang.): N12, 1689-1697.
NMR Standard HMDS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH trifluoroace