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5-Pentadecylresorcinol
SpectraBase Compound ID DYC3XBfOeP2
InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
InChIKey KVVSCMOUFCNCGX-UHFFFAOYSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnhMvSXkuUs
Name 5-Pentadecyl-1,3-benzenediol
Alternate Name(s) 1,3-Benzenediol, 5-pentadecyl- 5-pentadecylbenzene-1,3-diol 5-Pentadecylresorcinol Cardol Resorcinol, 5-pentadecyl- Resorcinol, pentadecyl- EINECS 221-599-7 NSC 776
CAS Registry Number 3158-56-3
Comments Less than 3 mono-isotopic peaks
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Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3
InChIKey KVVSCMOUFCNCGX-UHFFFAOYSA-N
Molecular Weight 320.517 g/mol
SMILES Oc1cc(cc(c1)CCCCCCCCCCCCCCC)O
SPLASH splash10-00di-0900000000-a792c3f2cefbf1ccda21
Source of Spectrum E2-50-1487-4
Wiley ID 1556008