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(E)-2-(Acetylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid
SpectraBase Compound ID JPF9QquRwpt
InChI InChI=1S/C17H16N4O5/c1-9-14(8-15(17(23)24)20-11(3)22)10(2)19-16(18-9)12-5-4-6-13(7-12)21(25)26/h4-8H,1-3H3,(H,20,22)(H,23,24)/b15-8+
InChIKey NGSNCARVQKTQJE-OVCLIPMQSA-N
Mol Weight 356.34 g/mol
Molecular Formula C17H16N4O5
Exact Mass 356.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85AUnQcRUPo
Name (E)-2-(Acetylamino)-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H16N4O5
InChI InChI=1S/C17H16N4O5/c1-9-14(8-15(17(23)24)20-11(3)22)10(2)19-16(18-9)12-5-4-6-13(7-12)21(25)26/h4-8H,1-3H3,(H,20,22)(H,23,24)/b15-8+
InChIKey NGSNCARVQKTQJE-OVCLIPMQSA-N
Molecular Weight 356.338 g/mol
SMILES OC(\C(=C/c1c(nc(-c2cc(N(=O)=O)ccc2)nc1C)C)NC(=O)C)=O
SPLASH splash10-03di-0009000000-2bc743a019e23caacdcf
Source of Spectrum F-65-8219-3g
Synonyms (E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)-5-pyrimidinyl]-2-propenoic acid (E)-2-acetamido-3-[4,6-dimethyl-2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enoic acid
Wiley ID 1679733