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3-Dodecyl-1H-pyrimido[4,5-b][1,8]naphthyridine-2,4-dione
SpectraBase Compound ID 92Vy0mA0fx5
InChI InChI=1S/C22H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-15-26-21(27)18-16-17-13-12-14-23-19(17)24-20(18)25-22(26)28/h12-14,16H,2-11,15H2,1H3,(H,23,24,25,28)
InChIKey VSMVEPAOGPBGKO-UHFFFAOYSA-N
Mol Weight 382.51 g/mol
Molecular Formula C22H30N4O2
Exact Mass 382.236876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zl0uoS8nCU
Name 3-Dodecyl-1H-pyrimido[4,5-b][1,8]naphthyridine-2,4-dione
Alternate Name(s) 3-lauryl-1H-pyrimido[4,5-b][1,8]naphthyridine-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N4O2
InChI InChI=1S/C22H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-15-26-21(27)18-16-17-13-12-14-23-19(17)24-20(18)25-22(26)28/h12-14,16H,2-11,15H2,1H3,(H,23,24,25,28)
InChIKey VSMVEPAOGPBGKO-UHFFFAOYSA-N
Molecular Weight 382.508 g/mol
SMILES N1C(N(C(c2cc3c(nc12)nccc3)=O)CCCCCCCCCCCC)=O
SPLASH splash10-03di-0921000000-5bca4d9c3d7b6f0265af
Source of Spectrum U1-2002-4060-8
Wiley ID 1523606