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4-[(Z)-(1-tert-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid
SpectraBase Compound ID BhqoA7HuHrg
InChI InChI=1S/C16H16N2O5/c1-16(2,3)18-13(20)11(12(19)17-15(18)23)8-9-4-6-10(7-5-9)14(21)22/h4-8H,1-3H3,(H,21,22)(H,17,19,23)/b11-8-
InChIKey GLDAPOWTYAVXFV-FLIBITNWSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsafMnPhE9n
Name 4-[(Z)-(1-tert-butyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid
Alternate Name(s) 4-[(Z)-(1-tert-butyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid 4-[(Z)-(1-tert-butyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid 4-[(Z)-[1-tert-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methyl]benzoic acid Benzoic acid, 4-(1-tert-butyl-2,4,6-trioxo-tetrahydropyrimidin-5-ylidenemethyl)-
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Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-16(2,3)18-13(20)11(12(19)17-15(18)23)8-9-4-6-10(7-5-9)14(21)22/h4-8H,1-3H3,(H,21,22)(H,17,19,23)/b11-8-
InChIKey GLDAPOWTYAVXFV-FLIBITNWSA-N
Molecular Weight 316.313 g/mol
SMILES OC(c1ccc(\C=C/2C(N(C(NC2=O)=O)C(C)(C)C)=O)cc1)=O
SPLASH splash10-0cdl-9560000000-ec006d6626222aafa4c2
Wiley ID 1442948