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Benzamide, 2-(decylthio)-N-(2,6-dihydroxyphenyl)-
SpectraBase Compound ID 28ohDhfJbz7
InChI InChI=1S/C25H39NO3/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/h18-19,27,29H,2-17H2,1H3
InChIKey LAXMJNVJIMLDNP-UHFFFAOYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C25H39NO3
Exact Mass 401.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDhoGF72zV7
Name Benzamide, 2-(decylthio)-N-(2,6-dihydroxyphenyl)-
Alternate Name(s) 3,6-Dihydroxy-2-stearoylbenzonitrile 2-(decylsulfanyl)-N-(2,6-dihydroxyphenyl)benzamide 3,6-Dihydroxy-2-(1-oxooctadecyl)benzonitrile 3,6-Dihydroxy-2-octadecanoylbenzonitrile 3,6-Dihydroxy-2-octadecanoyl-benzonitrile 2-Octadecanoyl-3,6-bis(oxidanyl)benzenecarbonitrile
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Formula C25H39NO3
InChI InChI=1S/C25H39NO3/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/h18-19,27,29H,2-17H2,1H3
InChIKey LAXMJNVJIMLDNP-UHFFFAOYSA-N
Molecular Weight 401.591 g/mol
SMILES Oc1ccc(c(c1C(CCCCCCCCCCCCCCCCC)=O)C#N)O
SPLASH splash10-0h03-4911200000-5cf651ac00fb44f13780
Source of Spectrum JX-2015-4-18
Wiley ID 1725476