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(S)-N-methyl-3-(3'-oxobut-1'-enyl)-1,4,5,6-tetrahydropyridine-4-carboxylic acid ethyl ester
SpectraBase Compound ID FlTSgbDss1R
InChI InChI=1S/C13H19NO3/c1-4-17-13(16)12-7-8-14(3)9-11(12)6-5-10(2)15/h5-6,9,12H,4,7-8H2,1-3H3/b6-5+/t12-/m0/s1
InChIKey YJOUHSPUWHIQGM-FYJFLYSWSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91oSvGeFlO1
Name (S)-N-methyl-3-(3'-oxobut-1'-enyl)-1,4,5,6-tetrahydropyridine-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-4-17-13(16)12-7-8-14(3)9-11(12)6-5-10(2)15/h5-6,9,12H,4,7-8H2,1-3H3/b6-5+/t12-/m0/s1
InChIKey YJOUHSPUWHIQGM-FYJFLYSWSA-N
Molecular Weight 237.299 g/mol
SMILES C1(=CN(C)CC[C@@]1(C(=O)OCC)[H])\C=C\C(=O)C
SPLASH splash10-03di-2920000000-2e61d8438bf6d8e7385b
Source of Spectrum I-79-1908-5
Synonyms Ethyl (4S)-1-methyl-5-[(1E)-3-oxo-1-butenyl]-1,2,3,4-tetrahydro-4-pyridinecarboxylate Ethyl N-methyl-3-(3'-oxobut-1'-enyl)-1,4,5,6-tetrahydropyridine-4-carboxylate Ketone-5
Wiley ID 812974