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4a-Methyl-1-[(1S)-1,2-di(carbomethoxy)ethyl]-1,3,4,5,6,7-hexahydroquinoline-2-one
SpectraBase Compound ID 6tnSVSdkJGH
InChI InChI=1S/C16H23NO5/c1-16-8-5-4-6-12(16)17(13(18)7-9-16)11(15(20)22-3)10-14(19)21-2/h6,11H,4-5,7-10H2,1-3H3/t11-,16?/m0/s1
InChIKey SOZUPHKSIMXSQK-CHPOKUKFSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jfatp3lS6TI
Name 4a-Methyl-1-[(1S)-1,2-di(carbomethoxy)ethyl]-1,3,4,5,6,7-hexahydroquinoline-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-16-8-5-4-6-12(16)17(13(18)7-9-16)11(15(20)22-3)10-14(19)21-2/h6,11H,4-5,7-10H2,1-3H3/t11-,16?/m0/s1
InChIKey SOZUPHKSIMXSQK-CHPOKUKFSA-N
Molecular Weight 309.362 g/mol
SMILES [C@@](N1C=2C(C)(CCCC2)CCC1=O)(CC(=O)OC)(C(=O)OC)[H]
SPLASH splash10-0cki-2963000000-7f99acfa5b1c8c53ed60
Source of Spectrum KD-13-566-2
Synonyms 4a-Methyl-1-[(1S)-1,2-di(carbomethoxy)ethyl]-1,3,4,5,6,7-hexahydroquinoline-2-one isomer Dimethyl (2S)-2-(4a-methyl-2-oxo-3,4,4a,5,6,7-hexahydro-1(2H)-quinolinyl)butanedioate
Wiley ID 1635086