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5-(4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl)nonan-5-ol
SpectraBase Compound ID HHAOxlH3nPa
InChI InChI=1S/C21H34O3/c1-5-7-13-21(22,14-8-6-2)18-11-9-17(10-12-18)19-23-15-20(3,4)16-24-19/h9-12,19,22H,5-8,13-16H2,1-4H3
InChIKey ZVMCBZIVFHVGBY-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LJijRMb9Li
Name 5-(4-(5,5-Dimethyl-1,3-dioxan-2-yl)phenyl)nonan-5-ol
Appearance Colorless oil
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Exact Mass 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-5-7-13-21(22,14-8-6-2)18-11-9-17(10-12-18)19-23-15-20(3,4)16-24-19/h9-12,19,22H,5-8,13-16H2,1-4H3
InChIKey ZVMCBZIVFHVGBY-UHFFFAOYSA-N
Instrument Name HP 5890 GC-5989B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202300820
Molecular Weight 334.500 g/mol
Quality 75
Reported Formula C21H34O3
SMILES OC(C1=CC=C(C2OCC(C)(CO2)C)C=C1)(CCCC)CCCC
SPLASH splash10-004i-0090000000-e98b5eb06f01e81cd4b7
Source of Spectrum QE-29-SM94-3 (DOI: 10.1002/chem.202300820)
Thin-Layer Chromatography 0.19 (PE/Et2O, 8:2)
Wiley ID 1910305