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1-Methyl-5-[4-oxo-2-(trideuteriomethyl)-3-quinazolinyl]-4-pyrazolecarboxylic acid ethyl ester
SpectraBase Compound ID GavHEUFmAt4
InChI InChI=1S/C16H16N4O3/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21/h5-9H,4H2,1-3H3/i2D3
InChIKey TZFZMYHFGCUVMC-BMSJAHLVSA-N
Mol Weight 315.35 g/mol
Molecular Formula C16H132D3N4O3
Exact Mass 315.141071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vzZcO7bEt9
Name 1-Methyl-5-[4-oxo-2-(trideuteriomethyl)-3-quinazolinyl]-4-pyrazolecarboxylic acid ethyl ester
Alternate Name(s) 5-[4-keto-2-(trideuteriomethyl)quinazolin-3-yl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Ethyl 1-methyl-5-[4-oxidanylidene-2-(trideuteriomethyl)quinazolin-3-yl]pyrazole-4-carboxylate Ethyl 1-methyl-5-[4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13D3N4O3
InChI InChI=1S/C16H16N4O3/c1-4-23-16(22)12-9-17-19(3)14(12)20-10(2)18-13-8-6-5-7-11(13)15(20)21/h5-9H,4H2,1-3H3/i2D3
InChIKey TZFZMYHFGCUVMC-BMSJAHLVSA-N
Molecular Weight 315.347 g/mol
SMILES c1(N2C(c3ccccc3N=C2C([2D])([2D])[2D])=O)c(cn[n]1C)C(=O)OCC
SPLASH splash10-014i-0292000000-2bcdd0b02be079e9271c
Source of Spectrum Y-29-566-17
Wiley ID 1313114