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3-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]-9-propyl-2-oxaspiro[5.5]undecane
SpectraBase Compound ID 3iTg2Xi9fZM
InChI InChI=1S/C32H31F7O2/c1-2-3-19-8-11-31(12-9-19)13-10-28(40-18-31)21-6-4-20(5-7-21)22-14-24(33)29(25(34)15-22)32(38,39)41-23-16-26(35)30(37)27(36)17-23/h4-7,14-17,19,28H,2-3,8-13,18H2,1H3
InChIKey ZXSPEBWCENUNLC-UHFFFAOYSA-N
Mol Weight 580.6 g/mol
Molecular Formula C32H31F7O2
Exact Mass 580.221227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YxfLFYwVNk
Name 3-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluoro-phenyl]phenyl]-9-propyl-2-oxaspiro[5.5]undecane
Appearance Crystalline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H31F7O2
InChI InChI=1S/C32H31F7O2/c1-2-3-19-8-11-31(12-9-19)13-10-28(40-18-31)21-6-4-20(5-7-21)22-14-24(33)29(25(34)15-22)32(38,39)41-23-16-26(35)30(37)27(36)17-23/h4-7,14-17,19,28H,2-3,8-13,18H2,1H3
InChIKey ZXSPEBWCENUNLC-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010SE
Ionization Type EI
Molecular Weight 580.587 g/mol
SMILES C12(CCC(CC2)CCC)COC(CC1)c1ccc(-c2cc(c(c(c2)F)C(Oc2cc(c(c(c2)F)F)F)(F)F)F)cc1
SPLASH splash10-0a4i-0009000000-2a0ec6373c7291c0d490
Source of Spectrum CN106520140A
Wiley ID 1855184