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YLCMHIMSFFROIY-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

YLCMHIMSFFROIY-UHFFFAOYSA-N
SpectraBase Compound ID 9e2mGzSSbI5
InChI InChI=1S/C21H13BrN4/c22-20-18-15(13-7-3-1-4-8-13)11-17(14-9-5-2-6-10-14)25-19(18)16(12-23)21(24)26-20/h1-11H,(H2,24,26)
InChIKey YLCMHIMSFFROIY-UHFFFAOYSA-N
Mol Weight 401.27 g/mol
Molecular Formula C21H13BrN4
Exact Mass 400.032359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GASDcqnTHkR
Name YLCMHIMSFFROIY-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H13BrN4
InChI InChI=1S/C21H13BrN4/c22-20-18-15(13-7-3-1-4-8-13)11-17(14-9-5-2-6-10-14)25-19(18)16(12-23)21(24)26-20/h1-11H,(H2,24,26)
InChIKey YLCMHIMSFFROIY-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 401.265 g/mol
Source File Reference MHKO13156