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6-CARBAMOYL-4-METHYL-1-(3-NITROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]-TRIAZOLO-[4,3-A]-[1,5]-BENZODIAZEPINE
SpectraBase Compound ID JwsDxU5pZzR
InChI InChI=1S/C24H20N6O3/c1-16-15-28(24(31)25-18-9-3-2-4-10-18)20-12-5-6-13-21(20)29-22(16)26-27-23(29)17-8-7-11-19(14-17)30(32)33/h2-14,16H,15H2,1H3,(H,25,31)
InChIKey GVBFMVUNNAWERP-UHFFFAOYSA-N
Mol Weight 440.46 g/mol
Molecular Formula C24H20N6O3
Exact Mass 440.159689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1w6dA4Tec6
Name 6-CARBAMOYL-4-METHYL-1-(3-NITROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]-TRIAZOLO-[4,3-A]-[1,5]-BENZODIAZEPINE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20N6O3
InChI InChI=1S/C24H20N6O3/c1-16-15-28(24(31)25-18-9-3-2-4-10-18)20-12-5-6-13-21(20)29-22(16)26-27-23(29)17-8-7-11-19(14-17)30(32)33/h2-14,16H,15H2,1H3,(H,25,31)
InChIKey GVBFMVUNNAWERP-UHFFFAOYSA-N
Literature Reference Author L.KOSYCHOVA,A.KARALIUS,Z.STANIULYTE,R.A.SIRUTKAITIS,A.PALAIM A,A.LAURYNENAS,Z.ANU
Literature Reference Citation MOLECULES,20,5392(2015)
Literature Reference DOI 10.3390/molecules20045392
Molecular Weight 440.461 g/mol
Solvent CDCl3
Source File Reference UWPA3054