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2,4,6-Octatrienoic acid, 8-(1,2-dihydro-4-methoxy-1-methyl-2-oxo-3-pyridinyl)-7-methyl-8-oxo-, (E,E,E)-
SpectraBase Compound ID 6ai8xtoJQd0
InChI InChI=1S/C16H17NO5/c1-11(7-5-4-6-8-13(18)19)15(20)14-12(22-3)9-10-17(2)16(14)21/h4-10H,1-3H3,(H,18,19)/b5-4+,8-6+,11-7+
InChIKey HPPSZLIPTPATLO-XQKRVCAYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Vzjlcl8qAB
Name 2,4,6-Octatrienoic acid, 8-(1,2-dihydro-4-methoxy-1-methyl-2-oxo-3-pyridinyl)-7-methyl-8-oxo-, (E,E,E)-
CAS Registry Number 74189-96-1
Comments Less than 3 mono-isotopic peaks
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Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-11(7-5-4-6-8-13(18)19)15(20)14-12(22-3)9-10-17(2)16(14)21/h4-10H,1-3H3,(H,18,19)/b5-4+,8-6+,11-7+
InChIKey HPPSZLIPTPATLO-XQKRVCAYSA-N
Molecular Weight 303.314 g/mol
SMILES OC(\C=C\C=C\C=C\(C(C=1C(N(C)C=CC1OC)=O)=O)C)=O
SPLASH splash10-014i-0901000000-c661250167d261d525f5
Source of Spectrum I-58-524-0
Synonyms (2E,4E,6E)-8-(4-methoxy-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)-7-methyl-8-oxo-2,4,6-octatrienoic acid (2E,4E,6E)-8-[4-methoxy-1,2-dihydro-1-methyl-2-oxo-3-pyridinyl]-7-methyl-8-oxo-2,4,6-octatrienoic acid
Wiley ID 1305551