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1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-(3-methoxy-3-oxo-1-propenyl)-5-methyl-, methyl ester, (E)-(.+-.)-
SpectraBase Compound ID 8nukbCSxYdB
InChI InChI=1S/C12H17NO4/c1-9-4-5-10(6-7-11(14)16-2)13(8-9)12(15)17-3/h6-8,10H,4-5H2,1-3H3/b7-6+
InChIKey RMEFLPFJLYDHBX-VOTSOKGWSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5PNWTOco0vK
Name 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-2-(3-methoxy-3-oxo-1-propenyl)-5-methyl-, methyl ester, (E)-(.+-.)-
Alternate Name(s) Methyl 2-[(1E)-3-methoxy-3-oxo-1-propenyl]-5-methyl-3,4-dihydro-1(2H)-pyridinecarboxylate N-(methoxycarbonyl)-2-[2-(methoxycarbonyl)vinyl]-5-methyl-1,2,3,4-tetrahydropyridine
CAS Registry Number 112622-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-9-4-5-10(6-7-11(14)16-2)13(8-9)12(15)17-3/h6-8,10H,4-5H2,1-3H3/b7-6+
InChIKey RMEFLPFJLYDHBX-VOTSOKGWSA-N
Molecular Weight 239.271 g/mol
SMILES C(N1C=C(C)CCC1\C=C\C(=O)OC)(=O)OC
SPLASH splash10-001j-2920000000-10ab87a90221c7c140fd
Source of Spectrum J-53-970-8
Wiley ID 1241833