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Ethyl 4-[3-(2-cyano-4-oxoquinazolin-3(4H)-yl)prop-1-yn-1-yl]benzoate
SpectraBase Compound ID 9smrEvnibUi
InChI InChI=1S/C21H15N3O3/c1-2-27-21(26)16-11-9-15(10-12-16)6-5-13-24-19(14-22)23-18-8-4-3-7-17(18)20(24)25/h3-4,7-12H,2,13H2,1H3
InChIKey XEFUVUFKVQGFBD-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C21H15N3O3
Exact Mass 357.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHRKx0b9p75
Name Ethyl 4-[3-(2-cyano-4-oxoquinazolin-3(4H)-yl)prop-1-yn-1-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N3O3
InChI InChI=1S/C21H15N3O3/c1-2-27-21(26)16-11-9-15(10-12-16)6-5-13-24-19(14-22)23-18-8-4-3-7-17(18)20(24)25/h3-4,7-12H,2,13H2,1H3
InChIKey XEFUVUFKVQGFBD-UHFFFAOYSA-N
Molecular Weight 357.369 g/mol
SMILES C1(N(C(=Nc2ccccc12)C#N)CC#Cc1ccc(C(=O)OCC)cc1)=O
SPLASH splash10-0bt9-9411000000-22ae1e9b46bc12253a36
Source of Spectrum F-69-7071-4f
Synonyms Ethyl 4-(3-(2-cyano-4-oxoquinazolin-3(4H)-yl)prop-1-yn-1-yl)benzoate 4-[3-(2-cyano-4-oxo-3-quinazolinyl)prop-1-ynyl]benzoic acid ethyl ester Ethyl 4-[3-(2-cyano-4-oxoquinazolin-3-yl)prop-1-ynyl]benzoate Ethyl 4-[3-(2-cyano-4-oxo-quinazolin-3-yl)prop-1-ynyl]benzoate Ethyl 4-[3-(2-cyano-4-oxidanylidene-quinazolin-3-yl)prop-1-ynyl]benzoate
Wiley ID 1738476