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XAPIAGDFYQKSJW-UHFFFAOYSA-N
SpectraBase Compound ID JnKF1qqZrHG
InChI InChI=1S/C17H12ClN5/c18-12-6-8-13(9-7-12)23-17-14(10-20-23)15(19)21-16(22-17)11-4-2-1-3-5-11/h1-10H,(H2,19,21,22)
InChIKey XAPIAGDFYQKSJW-UHFFFAOYSA-N
Mol Weight 321.77 g/mol
Molecular Formula C17H12ClN5
Exact Mass 321.078123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33Qd9ax1sOY
Name XAPIAGDFYQKSJW-UHFFFAOYSA-N
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12ClN5
InChI InChI=1S/C17H12ClN5/c18-12-6-8-13(9-7-12)23-17-14(10-20-23)15(19)21-16(22-17)11-4-2-1-3-5-11/h1-10H,(H2,19,21,22)
InChIKey XAPIAGDFYQKSJW-UHFFFAOYSA-N
Literature Reference Author L.M.RODRIGUES,A.SIVASUBRAMANIAN,E.M.PINTO,A.M.F.OLIVEIRA-CAM POS,J.A.SEIJAS,M.P.V
Literature Reference Citation MAGN.RES.CHEM.,47,84(2009)
Literature Reference DOI 10.1002/mrc.2329
Molecular Weight 321.769 g/mol
Solvent DMSO-D6
Source File Reference UWLU79352