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2-(10-Hydroxydecyl)-3 methyl-l,4-naphthoquinone

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2-(10-Hydroxydecyl)-3 methyl-l,4-naphthoquinone
SpectraBase Compound ID HIWTwz9f0oE
InChI InChI=1S/C21H28O3/c1-16-17(12-8-6-4-2-3-5-7-11-15-22)21(24)19-14-10-9-13-18(19)20(16)23/h9-10,13-14,22H,2-8,11-12,15H2,1H3
InChIKey CASWCSUJRWIELK-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8dWpUbRjbD
Name 2-(10-Hydroxydecyl)-3 methyl-l,4-naphthoquinone
Appearance Pale yellow solid
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Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-16-17(12-8-6-4-2-3-5-7-11-15-22)21(24)19-14-10-9-13-18(19)20(16)23/h9-10,13-14,22H,2-8,11-12,15H2,1H3
InChIKey CASWCSUJRWIELK-UHFFFAOYSA-N
Ionization Type EI positive ion
Molecular Weight 328.452 g/mol
Reported Formula C21H28O3
SMILES OCCCCCCCCCCC=1C(c2ccccc2C(C1C)=O)=O
SPLASH splash10-002r-0904000000-9202ab6d17ed61a37e54
Source of Spectrum WO2018191789A1
Wiley ID 1872527