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6-CARBAMOYL-5-METHYL-1-(3-NITROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]-TRIAZOLO-[4,3-A]-[1,5]-BENZODIAZEPINE
SpectraBase Compound ID 8G2WLy3rpyF
InChI InChI=1S/C24H20N6O3/c1-16-14-22-26-27-23(17-8-7-11-19(15-17)30(32)33)29(22)21-13-6-5-12-20(21)28(16)24(31)25-18-9-3-2-4-10-18/h2-13,15-16H,14H2,1H3,(H,25,31)
InChIKey YFMHWVTYKLTZLK-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 FMT0SrocZVZ
Name 6-CARBAMOYL-5-METHYL-1-(3-NITROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]-TRIAZOLO-[4,3-A]-[1,5]-BENZODIAZEPINE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20N6O3
InChI InChI=1S/C24H20N6O3/c1-16-14-22-26-27-23(17-8-7-11-19(15-17)30(32)33)29(22)21-13-6-5-12-20(21)28(16)24(31)25-18-9-3-2-4-10-18/h2-13,15-16H,14H2,1H3,(H,25,31)
InChIKey YFMHWVTYKLTZLK-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 UWPA3055