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5-(Octadecyloxy)benzene-1,3-dimethanol
SpectraBase Compound ID 2cJFqLAE4M3
InChI InChI=1S/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-26-20-24(22-27)19-25(21-26)23-28/h19-21,27-28H,2-18,22-23H2,1H3
InChIKey OIERBRMRXMIZSQ-UHFFFAOYSA-N
Mol Weight 406.7 g/mol
Molecular Formula C26H46O3
Exact Mass 406.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4x4J64VZAI
Name 5-(Octadecyloxy)benzene-1,3-dimethanol
Alternate Name(s) [3-(hydroxymethyl)-5-(octadecyloxy)phenyl]methanol [3-(hydroxymethyl)-5-octadecoxyphenyl]methanol [3-(hydroxymethyl)-5-octadecoxy-phenyl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C26H46O3
InChI InChI=1S/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-26-20-24(22-27)19-25(21-26)23-28/h19-21,27-28H,2-18,22-23H2,1H3
InChIKey OIERBRMRXMIZSQ-UHFFFAOYSA-N
Molecular Weight 406.651 g/mol
SMILES OCc1cc(cc(CO)c1)OCCCCCCCCCCCCCCCCCC
SPLASH splash10-0a4i-0200900000-0220e77a3cf4c01c7ab9
Source of Spectrum C-116-8159-8
Wiley ID 1372403