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3-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-4-methyl-2-oxo-, ethyl ester
SpectraBase Compound ID 6wqpJPYKrBJ
InChI InChI=1S/C13H17NO3/c1-3-17-13(16)11-8(2)9-6-4-5-7-10(9)14-12(11)15/h3-7H2,1-2H3,(H,14,15)
InChIKey WSMJRYCITJHXIX-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GTVCbBddhr
Name 3-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-4-methyl-2-oxo-, ethyl ester
CAS Registry Number 92525-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-17-13(16)11-8(2)9-6-4-5-7-10(9)14-12(11)15/h3-7H2,1-2H3,(H,14,15)
InChIKey WSMJRYCITJHXIX-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES N1C=2CCCCC2C(=C(C1=O)C(=O)OCC)C
SPLASH splash10-03di-0910000000-73712504ef5e96dd9dc2
Source of Spectrum J-54-227-17
Synonyms Ethyl 4-methyl-2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarboxylate Ethyl 4-methyl-2-oxo-5,6,7,8-tetrahydroisoquinoline-3(1H)-carboxylate
Wiley ID 1237124