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4,5-Dibromo-2-carbamoyl-3-hydroxy-6-oxo-6-p-tolyl-hexa-2,4-dienoic acid ethyl ester
SpectraBase Compound ID 4bjutD4v8l9
InChI InChI=1S/C16H15Br2NO5/c1-3-24-16(23)10(15(19)22)14(21)12(18)11(17)13(20)9-6-4-8(2)5-7-9/h4-7,21H,3H2,1-2H3,(H2,19,22)/b12-11+,14-10+
InChIKey OLVCHCRGLUZHLH-YTOJMCOISA-N
Mol Weight 461.11 g/mol
Molecular Formula C16H15Br2NO5
Exact Mass 458.931699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2pol8KiwMg
Name 4,5-Dibromo-2-carbamoyl-3-hydroxy-6-oxo-6-p-tolyl-hexa-2,4-dienoic acid ethyl ester
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Formula C16H15Br2NO5
InChI InChI=1S/C16H15Br2NO5/c1-3-24-16(23)10(15(19)22)14(21)12(18)11(17)13(20)9-6-4-8(2)5-7-9/h4-7,21H,3H2,1-2H3,(H2,19,22)/b12-11+,14-10+
InChIKey OLVCHCRGLUZHLH-YTOJMCOISA-N
Molecular Weight 461.106 g/mol
SMILES NC(\C(=C/(\C(=C\(C(c1ccc(cc1)C)=O)Br)Br)O)C(OCC)=O)=O
SPLASH splash10-0159-9510000000-a1f9d6e99366d4b5bdc9
Synonyms Ethyl (2E,4E)-2-(aminocarbonyl)-4,5-dibromo-3-hydroxy-6-(4-methylphenyl)-6-oxo-2,4-hexadienoate Ethyl 2-(aminocarbonyl)-4,5-dibromo-3-hydroxy-6-(4-methylphenyl)-6-oxo-2,4-hexadienoate
Wiley ID 1446780