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3-CHLORO-6,11-DIHYDRO-8-NITRO-11-PROPYL-5-H-PYRIDAZINO-[3.4-B]-[1.5]-BENZODIAZEPIN-5-ONE
SpectraBase Compound ID Ee1WV0axJPC
InChI InChI=1S/C14H12ClN5O3/c1-2-5-19-11-4-3-8(20(22)23)6-10(11)16-14(21)9-7-12(15)17-18-13(9)19/h3-4,6-7H,2,5H2,1H3,(H,16,21)
InChIKey KNORGLLMKFWNCG-UHFFFAOYSA-N
Mol Weight 333.74 g/mol
Molecular Formula C14H12ClN5O3
Exact Mass 333.062867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yc2eEDH72j
Name 3-CHLORO-6,11-DIHYDRO-8-NITRO-11-PROPYL-5-H-PYRIDAZINO-[3.4-B]-[1.5]-BENZODIAZEPIN-5-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12ClN5O3
InChI InChI=1S/C14H12ClN5O3/c1-2-5-19-11-4-3-8(20(22)23)6-10(11)16-14(21)9-7-12(15)17-18-13(9)19/h3-4,6-7H,2,5H2,1H3,(H,16,21)
InChIKey KNORGLLMKFWNCG-UHFFFAOYSA-N
Literature Reference Author G.HEINISCH,B.MATUSZCZAK,K.MEREITER
Literature Reference Citation HETEROCYCLES,45,673(1997)
Literature Reference DOI 10.3987/COM-96-7678
Molecular Weight 333.734 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2221