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12'-HYDROXY-7'-MULTIJUGUINOL;2-METHYL-3-HYDROXY-6-N-(7',12'-DIHYDROXYDODECYL)-PYRIDINE
SpectraBase Compound ID AwQx9ft5tIZ
InChI InChI=1S/C18H31NO3/c1-15-18(22)13-12-16(19-15)9-5-2-3-6-10-17(21)11-7-4-8-14-20/h12-13,17,20-22H,2-11,14H2,1H3
InChIKey NVCDYIVRRNILOL-UHFFFAOYSA-N
Mol Weight 309.45 g/mol
Molecular Formula C18H31NO3
Exact Mass 309.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rbPJcTj7RF
Name 2-methyl-3-hydroxy-6-n-(7',12'-dihydroxydodecyl)pyridine
Appearance White solid
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Formula C18H31NO3
InChI InChI=1S/C18H31NO3/c1-15-18(22)13-12-16(19-15)9-5-2-3-6-10-17(21)11-7-4-8-14-20/h12-13,17,20-22H,2-11,14H2,1H3
InChIKey NVCDYIVRRNILOL-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.1021/np200814j
Molecular Weight 309.450 g/mol
Optical Rotation [a]D28 = 0 (c = 0.1, MeOH)
Reported Formula C18H32NO3
SMILES OCCCCCC(CCCCCCc1nc(c(cc1)O)C)O
SPLASH splash10-00di-0900000000-5184c94eb2d500313b1f
Source of Spectrum G4-75-SM9-1
Synonyms 12'-hydroxy-7'-multijuguinol
Wiley ID 1854767