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PVABISQHVRJUTQ-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

PVABISQHVRJUTQ-UHFFFAOYSA-N
SpectraBase Compound ID 65JvTI9el6B
InChI InChI=1S/C21H22N6O2/c1-2-3-4-5-14-28-18-12-10-17(11-13-18)21-25-24-20(29-21)16-8-6-15(7-9-16)19-22-26-27-23-19/h6-13H,2-5,14H2,1H3,(H,22,23,26,27)
InChIKey PVABISQHVRJUTQ-UHFFFAOYSA-N
Mol Weight 390.45 g/mol
Molecular Formula C21H22N6O2
Exact Mass 390.180424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkrF82hIGtS
Name PVABISQHVRJUTQ-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N6O2
InChI InChI=1S/C21H22N6O2/c1-2-3-4-5-14-28-18-12-10-17(11-13-18)21-25-24-20(29-21)16-8-6-15(7-9-16)19-22-26-27-23-19/h6-13H,2-5,14H2,1H3,(H,22,23,26,27)
InChIKey PVABISQHVRJUTQ-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 390.445 g/mol
Source File Reference MHKO27141