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PIPERIDINIUM-5-CYANO-6-(4-CYANOPHENYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
SpectraBase Compound ID LbZxXBDk3QP
InChI InChI=1S/C17H15N5OS/c18-10-12-4-6-13(7-5-12)15-14(11-19)16(23)20-17(24)22(15)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2,(H,20,23,24)
InChIKey IUBVHGZCBYEAHJ-UHFFFAOYSA-N
Mol Weight 337.4 g/mol
Molecular Formula C17H15N5OS
Exact Mass 337.099731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21UYjAWAyqL
Name PIPERIDINIUM-5-CYANO-6-(4-CYANOPHENYL)-4-OXO-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINATE-SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15N5OS
InChI InChI=1S/C17H15N5OS/c18-10-12-4-6-13(7-5-12)15-14(11-19)16(23)20-17(24)22(15)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2,(H,20,23,24)
InChIKey IUBVHGZCBYEAHJ-UHFFFAOYSA-N
Literature Reference Author S.BALALAIE,M.BARARJANIAN,F.ROMINGER
Literature Reference Citation J.HETCYCL.CHEM.,43,821(2006)
Literature Reference DOI 10.1002/jhet.5570430402
Molecular Weight 337.399 g/mol
Sample ID 67505
Solvent DMSO-D6