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5-(1-Byutyl)-5-(2-(2,4-dinitrophenoxycarbonylmethyl))barbituric acid
SpectraBase Compound ID Kwgp3uFZCPE
InChI InChI=1S/C16H16N4O9/c1-2-3-6-16(13(22)17-15(24)18-14(16)23)8-12(21)29-11-5-4-9(19(25)26)7-10(11)20(27)28/h4-5,7H,2-3,6,8H2,1H3,(H2,17,18,22,23,24)
InChIKey ZRTBGSZDANIMPU-UHFFFAOYSA-N
Mol Weight 408.32 g/mol
Molecular Formula C16H16N4O9
Exact Mass 408.091728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64ZSOv32W7l
Name 5-(1-Byutyl)-5-(2-(2,4-dinitrophenoxycarbonylmethyl))barbituric acid
Alternate Name(s) 2,4-Dinitrophenyl (5-butyl-2,4,6-trioxohexahydro-5-pyrimidinyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4O9
InChI InChI=1S/C16H16N4O9/c1-2-3-6-16(13(22)17-15(24)18-14(16)23)8-12(21)29-11-5-4-9(19(25)26)7-10(11)20(27)28/h4-5,7H,2-3,6,8H2,1H3,(H2,17,18,22,23,24)
InChIKey ZRTBGSZDANIMPU-UHFFFAOYSA-N
Molecular Weight 408.323 g/mol
SMILES N1C(NC(C(C1=O)(CC(Oc1c(N(=O)=O)cc(N(=O)=O)cc1)=O)CCCC)=O)=O
SPLASH splash10-08mi-9800000000-9f3770b5e23965821876
Source of Spectrum F-51-447-8
Wiley ID 790627