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2-AMINO-7(8)-METHYL-4-PHENYL-3,4-DIHYDRO-S-TRIAZINO-[1,2-A]-BENZIMIDAZOLE;MIXTURE
SpectraBase Compound ID 4lUEnTcRQ75
InChI InChI=1S/2C16H15N5/c1-10-7-8-13-12(9-10)18-16-20-15(17)19-14(21(13)16)11-5-3-2-4-6-11;1-10-7-8-12-13(9-10)21-14(11-5-3-2-4-6-11)19-15(17)20-16(21)18-12/h2*2-9,14H,1H3,(H3,17,18,19,20)
InChIKey OHGPGMASPCCPSV-UHFFFAOYSA-N
Mol Weight 554.66 g/mol
Molecular Formula C32H30N10
Exact Mass 554.265491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WdLognGZAv
Name 2-AMINO-7(8)-METHYL-4-PHENYL-3,4-DIHYDRO-S-TRIAZINO-[1,2-A]-BENZIMIDAZOLE;MIXTURE
Compound Number 8B+8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30N10
InChI InChI=1S/2C16H15N5/c1-10-7-8-13-12(9-10)18-16-20-15(17)19-14(21(13)16)11-5-3-2-4-6-11;1-10-7-8-12-13(9-10)21-14(11-5-3-2-4-6-11)19-15(17)20-16(21)18-12/h2*2-9,14H,1H3,(H3,17,18,19,20)
InChIKey OHGPGMASPCCPSV-UHFFFAOYSA-N
Literature Reference Author A.V.DOLZHENKO,W.K.CHUI
Literature Reference Citation J.HETCYCL.CHEM.,43,95(2006)
Literature Reference DOI 10.1002/jhet.5570430115
Molecular Weight 554.657 g/mol
Sample ID 66618
Solvent DMSO-D6