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2-chloro-6-oxo-8-phenyl-3-(3-trihydroxysilylpropyliminomethyl)pyrimido[1,2-a]pyrimidine-7-carbonitrile
SpectraBase Compound ID 3beDqEOd4j4
InChI InChI=1S/C18H16ClN5O4Si/c19-16-13(10-21-7-4-8-29(26,27)28)11-24-17(25)14(9-20)15(22-18(24)23-16)12-5-2-1-3-6-12/h1-3,5-6,10-11,26-28H,4,7-8H2
InChIKey YYBHTQMKZVCWBR-UHFFFAOYSA-N
Mol Weight 429.9 g/mol
Molecular Formula C18H16ClN5O4Si
Exact Mass 429.066008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RAOGvSZhYK
Name 2-chloro-6-oxo-8-phenyl-3-(3-trihydroxysilylpropyliminomethyl)pyrimido[1,2-a]pyrimidine-7-carbonitrile
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClN5O4Si
InChI InChI=1S/C18H16ClN5O4Si/c19-16-13(10-21-7-4-8-29(26,27)28)11-24-17(25)14(9-20)15(22-18(24)23-16)12-5-2-1-3-6-12/h1-3,5-6,10-11,26-28H,4,7-8H2
InChIKey YYBHTQMKZVCWBR-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4237
Molecular Weight 429.895 g/mol
SMILES O[Si](CCCN=CC1=CN2C(N=C1Cl)=NC(=C(C2=O)C#N)c1ccccc1)(O)O
SPLASH splash10-0229-2930000000-931e2bb42e41db3a8382
Source of Spectrum Y-58-1076-6
Wiley ID 1879391