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Edulinine
SpectraBase Compound ID Llm5S5xtbVS
InChI InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3
InChIKey NHNXJYYEQLVCAZ-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtGEyGFVqNB
Name Edulinine
Comments Removed - expert review: contamination (chloroform))
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Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-16(2,20)13(18)9-11-14(21-4)10-7-5-6-8-12(10)17(3)15(11)19/h5-8,13,18,20H,9H2,1-4H3
InChIKey NHNXJYYEQLVCAZ-UHFFFAOYSA-N
Molecular Weight 291.347 g/mol
SMILES OC(C(CC=1C(N(C)c2c(C1OC)cccc2)=O)O)(C)C
SPLASH splash10-001i-9480000000-3eb99c6da5487ce2466f
Source of Spectrum PS-1995-0-9
Synonyms Edulenine 3-(2,3-dihydroxy-3-methyl-butyl)-4-methoxy-1-methyl-carbostyril 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methyl-2-quinolinone 3-(2,3-dihydroxy-3-methylbutyl)-4-methoxy-1-methylquinolin-2-one 3-(2,3-dihydroxy-3-methyl-butyl)-4-methoxy-1-methyl-quinolin-2-one 4-methoxy-1-methyl-3-[3-methyl-2,3-bis(oxidanyl)butyl]quinolin-2-one
Wiley ID 880067