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2-[4-[(3,4-difluorophenoxy)-difluoro-methyl]-3-fluoro-phenyl]-5-propyl-1,3-benzoxazole
SpectraBase Compound ID ByVjwQ4nce9
InChI InChI=1S/C23H16F5NO2/c1-2-3-13-4-9-21-20(10-13)29-22(30-21)14-5-7-16(18(25)11-14)23(27,28)31-15-6-8-17(24)19(26)12-15/h4-12H,2-3H2,1H3
InChIKey JHRHXMKOSDCRII-UHFFFAOYSA-N
Mol Weight 433.38 g/mol
Molecular Formula C23H16F5NO2
Exact Mass 433.11012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18vRaRX1A4i
Name 2-[4-[(3,4-difluorophenoxy)-difluoro-methyl]-3-fluoro-phenyl]-5-propyl-1,3-benzoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16F5NO2
InChI InChI=1S/C23H16F5NO2/c1-2-3-13-4-9-21-20(10-13)29-22(30-21)14-5-7-16(18(25)11-14)23(27,28)31-15-6-8-17(24)19(26)12-15/h4-12H,2-3H2,1H3
InChIKey JHRHXMKOSDCRII-UHFFFAOYSA-N
Instrument Name Agilent MS5975C
Ionization Type EI
Molecular Weight 433.378 g/mol
SMILES c1(CCC)ccc2oc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)cc4)cc3)nc2c1
SPLASH splash10-014i-0009000000-fa5186b0a2080514537c
Source of Spectrum CN103058947A
Wiley ID 1847224