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1,5-Pentanediol, o,o'-di(4-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,5-Pentanediol, o,o'-di(4-trifluoromethylbenzoyl)-
SpectraBase Compound ID 81ffCHDM5Qg
InChI InChI=1S/C21H18F6O4/c22-20(23,24)16-8-4-14(5-9-16)18(28)30-12-2-1-3-13-31-19(29)15-6-10-17(11-7-15)21(25,26)27/h4-11H,1-3,12-13H2
InChIKey KFNHBHCLOMIYMS-UHFFFAOYSA-N
Mol Weight 448.36 g/mol
Molecular Formula C21H18F6O4
Exact Mass 448.110928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wAgixP3gYm
Name 1,5-Pentanediol, o,o'-di(4-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
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Exact Mass 448.110928034 u
Formula C21H18F6O4
InChI InChI=1S/C21H18F6O4/c22-20(23,24)16-8-4-14(5-9-16)18(28)30-12-2-1-3-13-31-19(29)15-6-10-17(11-7-15)21(25,26)27/h4-11H,1-3,12-13H2
InChIKey KFNHBHCLOMIYMS-UHFFFAOYSA-N
Molecular Weight 448.361 g/mol
SMILES C(CCOC(=O)C1=CC=C(C(F)(F)F)C=C1)CCOC(C1=CC=C(C(F)(F)F)C=C1)=O