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2H,6H-4-METHYLPYRAZOLO-[3,4-B]-AZEPIN-7-ONE

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2H,6H-4-METHYLPYRAZOLO-[3,4-B]-AZEPIN-7-ONE
SpectraBase Compound ID 9zT08wzrDxb
InChI InChI=1S/C8H9N3O/c1-5-2-3-7(12)10-8-6(5)4-9-11-8/h2,4H,3H2,1H3,(H2,9,10,11,12)
InChIKey IJLVQKYJJPZMFS-UHFFFAOYSA-N
Mol Weight 163.18 g/mol
Molecular Formula C8H9N3O
Exact Mass 163.074562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cd38ok2z0Wl
Name 2H,6H-4-METHYLPYRAZOLO-[3,4-B]-AZEPIN-7-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N3O
InChI InChI=1S/C8H9N3O/c1-5-2-3-7(12)10-8-6(5)4-9-11-8/h2,4H,3H2,1H3,(H2,9,10,11,12)
InChIKey IJLVQKYJJPZMFS-UHFFFAOYSA-N
Literature Reference Author S.C.SHARMA,B.M.LYNCH
Literature Reference Citation CAN.J.CHEM.,57,3034(1979)
Literature Reference DOI 10.1139/v79-494
Molecular Weight 163.179 g/mol
Solvent CDCl3:DMSO-D6=9:1
Source File Reference UWED2343