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7'-MULTIJUGUINOL;2-METHYL-3-HYDROXY-6-N-(7'-HYDROXYDODECYL)-PYRIDINE
SpectraBase Compound ID 6FpM9QzxtHE
InChI InChI=1S/C18H31NO2/c1-3-4-7-11-17(20)12-9-6-5-8-10-16-13-14-18(21)15(2)19-16/h13-14,17,20-21H,3-12H2,1-2H3
InChIKey CNMGUUSUCOHURV-UHFFFAOYSA-N
Mol Weight 293.45 g/mol
Molecular Formula C18H31NO2
Exact Mass 293.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcPAt1AcmkC
Name 2-methyl-3-hydroxy-6-n-(7'-hydroxydodecyl)-pyridine
Alternate Name(s) 7'-Multijuguinol
Appearance White solid
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Formula C18H31NO2
InChI InChI=1S/C18H31NO2/c1-3-4-7-11-17(20)12-9-6-5-8-10-16-13-14-18(21)15(2)19-16/h13-14,17,20-21H,3-12H2,1-2H3
InChIKey CNMGUUSUCOHURV-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.1021/np200814j
Molecular Weight 293.451 g/mol
Optical Rotation [a]D28 = 0 (c = 0.1, MeOH)
Reported Formula C18H32NO2
SMILES OC(CCCCCCc1nc(c(cc1)O)C)CCCCC
SPLASH splash10-00di-0900000000-668a783d2132e1b78424
Source of Spectrum G4-75-SM9-4
Wiley ID 1854769