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3-butyl-2,4-diketo-[1,3,5]triazino[4,3-b]benzimidazole-10-carboxylic acid methyl ester
SpectraBase Compound ID AlC7R7URIpQ
InChI InChI=1S/C15H16N4O4/c1-3-4-9-17-13(20)16-12-18(14(17)21)10-7-5-6-8-11(10)19(12)15(22)23-2/h5-8H,3-4,9H2,1-2H3
InChIKey OLEGYIYYCDXJBP-UHFFFAOYSA-N
Mol Weight 316.32 g/mol
Molecular Formula C15H16N4O4
Exact Mass 316.117155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZcgaUbEpix
Name 3-Butyl-10-methoxycarbonyl-2,4(3H,5H)-dioxo-triazino(3,2-A)benzimidazoline
CAS Registry Number 104145-33-7
Comments 10% IMPURITY PRESENT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H16N4O4
InChI InChI=1S/C15H16N4O4/c1-3-4-9-17-13(20)16-12-18(14(17)21)10-7-5-6-8-11(10)19(12)15(22)23-2/h5-8H,3-4,9H2,1-2H3
InChIKey OLEGYIYYCDXJBP-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference E. Gruendemann, H. Graubaum, D. Martin, Magn. Res. Chem. 24, 21 (1986).
NMR Standard (CH3)6 Si2O
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6