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2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]-5-propyl-1,3-oxathiane
SpectraBase Compound ID 37mygirb4of
InChI InChI=1S/C26H21F7O2S/c1-2-3-14-12-34-25(36-13-14)16-6-4-15(5-7-16)17-8-19(27)23(20(28)9-17)26(32,33)35-18-10-21(29)24(31)22(30)11-18/h4-11,14,25H,2-3,12-13H2,1H3
InChIKey PXEGPTNSMRZJMZ-UHFFFAOYSA-N
Mol Weight 530.5 g/mol
Molecular Formula C26H21F7O2S
Exact Mass 530.115048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQgcdaR5tmO
Name 2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]-5-propyl-1,3-oxathiane
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Formula C26H21F7O2S
InChI InChI=1S/C26H21F7O2S/c1-2-3-14-12-34-25(36-13-14)16-6-4-15(5-7-16)17-8-19(27)23(20(28)9-17)26(32,33)35-18-10-21(29)24(31)22(30)11-18/h4-11,14,25H,2-3,12-13H2,1H3
InChIKey PXEGPTNSMRZJMZ-UHFFFAOYSA-N
Instrument Name Agilent MS5975C
Ionization Type EI
Molecular Weight 530.501 g/mol
SMILES C1OC(SCC1CCC)c1ccc(cc1)-c1cc(c(c(c1)F)C(Oc1cc(c(c(c1)F)F)F)(F)F)F
SPLASH splash10-00lr-0095000000-e7cd8bd7584cfda15364
Source of Spectrum CN103664868A
Wiley ID 1848080