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Propanedioic acid, methyl[4-(3-pyridinyl)-1,3-butadienyl]-, dimethyl ester, (E,Z)-
SpectraBase Compound ID 3pCO63SLhxx
InChI InChI=1S/C15H17NO4/c1-15(13(17)19-2,14(18)20-3)9-5-4-7-12-8-6-10-16-11-12/h4-11H,1-3H3/b7-4+,9-5+
InChIKey JUUDUQRUZIUBOV-XCIOYXGDSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYzBkGyUws0
Name Propanedioic acid, methyl[4-(3-pyridinyl)-1,3-butadienyl]-, dimethyl ester, (E,Z)-
Alternate Name(s) 1-(3-Pyridyl)-5,5-dicarbomethoxy-1,3-hexadiene Dimethyl 2-methyl-2-[(1E,3E)-4-(3-pyridinyl)-1,3-butadienyl]malonate
CAS Registry Number 93185-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-15(13(17)19-2,14(18)20-3)9-5-4-7-12-8-6-10-16-11-12/h4-11H,1-3H3/b7-4+,9-5+
InChIKey JUUDUQRUZIUBOV-XCIOYXGDSA-N
Molecular Weight 275.304 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(\C=C\C=C\c1cnccc1)C
SPLASH splash10-0a6r-3940000000-56b61322f763a723749d
Source of Spectrum J-49-4815-0
Wiley ID 1279060