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(3-Allyl-4-oxo-9-phenyl-pyrimido[1,6-A]pyrimidin-2-yl) acetate
SpectraBase Compound ID 6IhfPbTSeTM
InChI InChI=1S/C18H15N3O3/c1-3-7-14-17(24-12(2)22)20-16-15(13-8-5-4-6-9-13)10-19-11-21(16)18(14)23/h3-6,8-11H,1,7H2,2H3
InChIKey LBXVJVKSGKMVMR-UHFFFAOYSA-N
Mol Weight 321.34 g/mol
Molecular Formula C18H15N3O3
Exact Mass 321.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlnlGmVRZwS
Name (3-allyl-4-oxo-9-phenyl-pyrimido[1,6-a]pyrimidin-2-yl) acetate
CAS Registry Number 109113-90-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O3
InChI InChI=1S/C18H15N3O3/c1-3-7-14-17(24-12(2)22)20-16-15(13-8-5-4-6-9-13)10-19-11-21(16)18(14)23/h3-6,8-11H,1,7H2,2H3
InChIKey LBXVJVKSGKMVMR-UHFFFAOYSA-N
Molecular Weight 321.336 g/mol
SMILES C1=2N(C(=O)C(=C(N2)OC(=O)C)CC=C)C=NC=C1c1ccccc1
SPLASH splash10-004i-0290000000-40128445f1ab126a4447
Source of Spectrum Y-23-1064-0
Synonyms (4-oxidanylidene-9-phenyl-3-prop-2-enyl-pyrimido[1,6-a]pyrimidin-2-yl) ethanoate (4-oxo-9-phenyl-3-prop-2-enylpyrimido[1,6-a]pyrimidin-2-yl) acetate Acetic acid (3-allyl-4-keto-9-phenyl-pyrimido[1,6-a]pyrimidin-2-yl) ester Acetic acid (4-oxo-9-phenyl-3-prop-2-enyl-2-pyrimido[1,6-a]pyrimidinyl) ester
Wiley ID 1320928