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7-Amino-5-(4-chlorophenyl)-6-cyano-5H-pyrano[2,3-d]pyrimidin-(1H,3H)-2,4-dione
SpectraBase Compound ID IOZFo4llZIN
InChI InChI=1S/C14H9ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)
InChIKey BQFPJAOKBASIPO-UHFFFAOYSA-N
Mol Weight 316.7 g/mol
Molecular Formula C14H9ClN4O3
Exact Mass 316.036318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcHmaIar911
Name 7-Amino-5-(4-chlorophenyl)-6-cyano-5H-pyrano[2,3-d]pyrimidin-(1H,3H)-2,4-dione
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9ClN4O3
InChI InChI=1S/C14H9ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)
InChIKey BQFPJAOKBASIPO-UHFFFAOYSA-N
Instrument Name Agilent GC-MSD
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3695
Molecular Weight 316.704 g/mol
SMILES N1C(NC2=C(C(C(=C(O2)N)C#N)c2ccc(cc2)Cl)C1=O)=O
SPLASH splash10-0a4i-0391000000-ab5c61703901040e512c
Source of Spectrum Y-56-3013-4
Wiley ID 1861108