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6-ACETYL-5-METHYL-1-(3-NITROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]-TRIAZOLO-[4,3-A]-[1,5]-BENZODIAZEPINE
SpectraBase Compound ID CDeklTMKwid
InChI InChI=1S/C19H17N5O3/c1-12-10-18-20-21-19(14-6-5-7-15(11-14)24(26)27)23(18)17-9-4-3-8-16(17)22(12)13(2)25/h3-9,11-12H,10H2,1-2H3
InChIKey GWGUCGHLHZMXIA-UHFFFAOYSA-N
Mol Weight 363.38 g/mol
Molecular Formula C19H17N5O3
Exact Mass 363.133139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6VY0jacZ81O
Name 6-ACETYL-5-METHYL-1-(3-NITROPHENYL)-5,6-DIHYDRO-4H-[1,2,4]-TRIAZOLO-[4,3-A]-[1,5]-BENZODIAZEPINE
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17N5O3
InChI InChI=1S/C19H17N5O3/c1-12-10-18-20-21-19(14-6-5-7-15(11-14)24(26)27)23(18)17-9-4-3-8-16(17)22(12)13(2)25/h3-9,11-12H,10H2,1-2H3
InChIKey GWGUCGHLHZMXIA-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 363.376 g/mol
Solvent CDCl3
Source File Reference UWPA3053