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8-(PYRAZOL-1-YL)-7,8-DIHYDROCOPTISINE

View entire compound with spectra: 1 NMR

8-(PYRAZOL-1-YL)-7,8-DIHYDROCOPTISINE
SpectraBase Compound ID BvvkECOiHh3
InChI InChI=1S/C22H17N3O4/c1-5-23-25(6-1)22-20-14(2-3-17-21(20)29-12-26-17)8-16-15-10-19-18(27-11-28-19)9-13(15)4-7-24(16)22/h1-3,5-6,8-10,22H,4,7,11-12H2
InChIKey ZZUSMJPMBMYDMA-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C22H17N3O4
Exact Mass 387.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CO17BoagaZt
Name 8-(PYRAZOL-1-YL)-7,8-DIHYDROCOPTISINE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17N3O4
InChI InChI=1S/C22H17N3O4/c1-5-23-25(6-1)22-20-14(2-3-17-21(20)29-12-26-17)8-16-15-10-19-18(27-11-28-19)9-13(15)4-7-24(16)22/h1-3,5-6,8-10,22H,4,7,11-12H2
InChIKey ZZUSMJPMBMYDMA-UHFFFAOYSA-N
Literature Reference Author L.GRYCOVA,D.HULOVA,L.MAIER,S.STANDARA,M.NECAS,F.LEMIERE,R.KA RES,J.DOSTAL,R.MAREK
Literature Reference Citation MAGN.RES.CHEM.,46,1127(2008)
Literature Reference DOI 10.1002/mrc.2325
Molecular Weight 387.395 g/mol
Solvent CD2Cl2
Source File Reference UWBT16365