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1,3-Benzenediol, o-cyclopentanecarbonyl-o'-pentafluorobenzoyl-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-cyclopentanecarbonyl-o'-pentafluorobenzoyl-
SpectraBase Compound ID INEK4ELjHYI
InChI InChI=1S/C19H13F5O4/c20-13-12(14(21)16(23)17(24)15(13)22)19(26)28-11-7-3-6-10(8-11)27-18(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
InChIKey KWHXCQKBLYQPST-UHFFFAOYSA-N
Mol Weight 400.3 g/mol
Molecular Formula C19H13F5O4
Exact Mass 400.0734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQBKxBfeJT
Name 1,3-Benzenediol, o-cyclopentanecarbonyl-o'-pentafluorobenzoyl-
Comments Computed using HOSE algorithm
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Exact Mass 400.073399710 u
Formula C19H13F5O4
InChI InChI=1S/C19H13F5O4/c20-13-12(14(21)16(23)17(24)15(13)22)19(26)28-11-7-3-6-10(8-11)27-18(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2
InChIKey KWHXCQKBLYQPST-UHFFFAOYSA-N
Molecular Weight 400.301 g/mol
SMILES C1=C(C=CC=C1OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C1CCCC1