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JNUWLDSMCKDATH-UHFFFAOYSA-N

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JNUWLDSMCKDATH-UHFFFAOYSA-N
SpectraBase Compound ID ExRxCvx5c47
InChI InChI=1S/C18H14BrN5/c19-13-6-8-14(9-7-13)24-18-15(11-21-24)17(20)22-16(23-18)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,22,23)
InChIKey JNUWLDSMCKDATH-UHFFFAOYSA-N
Mol Weight 380.25 g/mol
Molecular Formula C18H14BrN5
Exact Mass 379.043258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46yv52FxISA
Name JNUWLDSMCKDATH-UHFFFAOYSA-N
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14BrN5
InChI InChI=1S/C18H14BrN5/c19-13-6-8-14(9-7-13)24-18-15(11-21-24)17(20)22-16(23-18)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,22,23)
InChIKey JNUWLDSMCKDATH-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 380.247 g/mol
Solvent DMSO-D6
Source File Reference UWLU79356