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N,N-dimethyl-5-ethyl-5-(2,3,4,5-tetradeuterophenyl)-Z-13C-barbituric acid
SpectraBase Compound ID KyVxhMgOAog
InChI InChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3/i5D,6D,7D,8+1D
InChIKey RPJARFKGODFVHL-ADWHZCMHSA-N
Mol Weight 265.31 g/mol
Molecular Formula C1313CH122D4N2O3
Exact Mass 265.144554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExusxzuZ2YX
Name N,N-dimethyl-5-ethyl-5-(2,3,4,5-tetradeuterophenyl)-Z-13C-barbituric acid
Alternate Name(s) N,N-dimethyl-5-ethyl-5-(2,3,4,5-tetradeuterophenyl)-2-[¹³C]-barbituric acid
Comments Original formula: C13[13C]H12D4N2O3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3
InChI InChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3/i5D,6D,7D,8+1D
InChIKey RPJARFKGODFVHL-ADWHZCMHSA-N
Molecular Weight 265.310 g/mol
SMILES C1(N(C(C(C(N1C)=O)(c1[13c](c([2D])c(c(c1)[2D])[2D])[2D])CC)=O)C)=O
SPLASH splash10-000i-0970000000-074f349d01558b928222
Source of Spectrum KO-9-203-1
Wiley ID 1263669