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BRFLKYNMLZHWMV-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

BRFLKYNMLZHWMV-UHFFFAOYSA-N
SpectraBase Compound ID 8DyPjVwyCTz
InChI InChI=1S/C20H20N4O5/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(7-5-10)24(27)28)16-17(21-12)22-19(29-3)23-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,21,22,23,26)
InChIKey BRFLKYNMLZHWMV-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C20H20N4O5
Exact Mass 396.14337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImjAXxairAh
Name BRFLKYNMLZHWMV-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20N4O5
InChI InChI=1S/C20H20N4O5/c1-20(2)8-12-15(13(25)9-20)14(10-4-6-11(7-5-10)24(27)28)16-17(21-12)22-19(29-3)23-18(16)26/h4-7,14H,8-9H2,1-3H3,(H2,21,22,23,26)
InChIKey BRFLKYNMLZHWMV-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 396.403 g/mol
Source File Reference MHKO15555