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1,7-Dihydroxynaphthalene, bis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR

1,7-Dihydroxynaphthalene, bis(heptafluorobutyrate)
SpectraBase Compound ID IgA0P1l4HiK
InChI InChI=1S/C18H6F14O4/c19-13(20,15(23,24)17(27,28)29)11(33)35-8-5-4-7-2-1-3-10(9(7)6-8)36-12(34)14(21,22)16(25,26)18(30,31)32/h1-6H
InChIKey MYRPNPITQSKQGX-UHFFFAOYSA-N
Mol Weight 552.22 g/mol
Molecular Formula C18H6F14O4
Exact Mass 552.004253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rbQXo7JrOq
Name 1,7-Dihydroxynaphthalene, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.004252951 u
Formula C18H6F14O4
InChI InChI=1S/C18H6F14O4/c19-13(20,15(23,24)17(27,28)29)11(33)35-8-5-4-7-2-1-3-10(9(7)6-8)36-12(34)14(21,22)16(25,26)18(30,31)32/h1-6H
InChIKey MYRPNPITQSKQGX-UHFFFAOYSA-N
Molecular Weight 552.220 g/mol
SMILES C1=2C(=CC=CC2OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F