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2-(3-(4-methoxyphenyl)-3-(4-(trifluoromethyl)phenyl)propyl)-1,3-dioxane

View entire compound with spectra: 1 MS (GC)

2-(3-(4-methoxyphenyl)-3-(4-(trifluoromethyl)phenyl)propyl)-1,3-dioxane
SpectraBase Compound ID Ks62KbeHtrD
InChI InChI=1S/C21H23F3O3/c1-25-18-9-5-16(6-10-18)19(11-12-20-26-13-2-14-27-20)15-3-7-17(8-4-15)21(22,23)24/h3-10,19-20H,2,11-14H2,1H3
InChIKey SYGAADKGZXVHLB-UHFFFAOYSA-N
Mol Weight 380.41 g/mol
Molecular Formula C21H23F3O3
Exact Mass 380.159929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ii2hVU7XMYz
Name 2-(3-(4-methoxyphenyl)-3-(4-(trifluoromethyl)phenyl)propyl)-1,3-dioxane
Appearance Waxy oil
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Exact Mass 380.159929087 u
Formula C21H23F3O3
InChI InChI=1S/C21H23F3O3/c1-25-18-9-5-16(6-10-18)19(11-12-20-26-13-2-14-27-20)15-3-7-17(8-4-15)21(22,23)24/h3-10,19-20H,2,11-14H2,1H3
InChIKey SYGAADKGZXVHLB-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101682
Molecular Weight 380.407 g/mol
Reported Formula C21H23F3O3
SMILES C=1(C(CCC2OCCCO2)C=2C=CC(=CC2)C(F)(F)F)C=CC(=CC1)OC
SPLASH splash10-00di-0090000000-42388e43a3bfb669cc87
Source of Spectrum ACI-60-SM34-6g (DOI: 10.1002/anie.202101682)
Wiley ID 1891277