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Benzonitrile, 3,6-dihydroxy-2-(1-hydroxyoctadecyl)-
SpectraBase Compound ID H8HQ8odpqwx
InChI InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-21(20-26)22(27)18-19-24(25)29/h18-19,23,27-29H,2-17H2,1H3
InChIKey RDBZYUIBHQOROM-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cdoZZJCp9A
Name Benzonitrile, 3,6-dihydroxy-2-(1-hydroxyoctadecyl)-
Alternate Name(s) 3,6-Dihydroxy-2-(1-hydroxyoctadecyl)benzonitrile 3,6-Bis(oxidanyl)-2-(1-oxidanyloctadecyl)benzenecarbonitrile
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Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-21(20-26)22(27)18-19-24(25)29/h18-19,23,27-29H,2-17H2,1H3
InChIKey RDBZYUIBHQOROM-UHFFFAOYSA-N
Molecular Weight 403.607 g/mol
SMILES OC(c1c(ccc(c1C#N)O)O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0h00-1911300000-317b4354b8390c3a03b2
Source of Spectrum JX-2015-4-44
Wiley ID 1725500