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THIOSEMICARBAZONE_OF_GAMMA-PYRIDINECARBALDEHYDE;TAUTOMER_B
SpectraBase Compound ID BInWtMLCV5u
InChI InChI=1S/C7H8N4S.C2HF3O2/c8-7-11-10-6(12-7)5-1-3-9-4-2-5;3-2(4,5)1(6)7/h1-4,6,10H,(H2,8,11);(H,6,7)
InChIKey ARXGGMRXNSNOTK-UHFFFAOYSA-N
Mol Weight 294.25 g/mol
Molecular Formula C9H9F3N4O2S
Exact Mass 294.039831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dRxsf4JMRK
Name THIOSEMICARBAZONE_OF_GAMMA-PYRIDINECARBALDEHYDE;TAUTOMER_B
Compound Number VI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9F3N4O2S
InChI InChI=1S/C7H8N4S.C2HF3O2/c8-7-11-10-6(12-7)5-1-3-9-4-2-5;3-2(4,5)1(6)7/h1-4,6,10H,(H2,8,11);(H,6,7)
InChIKey ARXGGMRXNSNOTK-UHFFFAOYSA-N
Literature Reference Author K.N.ZELENIN,O.B.KUZNETSOVA,V.V.ALEKSEEV,I.Y.KALVINSH,L.Y.LEI TIS
Literature Reference Citation CHEM.HET.COMP.,30,107(1994)
Literature Reference DOI 10.1007/bf01164745
Molecular Weight 294.251 g/mol
Solvent CF3COOH
Source File Reference UWMZ12768