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2,2-BIS(HYDROXYMETHYL)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE, BIS(alpha,alpha,alpha-TRIFLUORO-m-TOLUATE)
SpectraBase Compound ID BG8Rb59E8DT
InChI InChI=1S/C28H20F6O5/c29-27(30,31)20-8-3-6-18(13-20)24(36)38-15-26(12-11-17-5-1-2-10-22(17)23(26)35)16-39-25(37)19-7-4-9-21(14-19)28(32,33)34/h1-10,13-14H,11-12,15-16H2
InChIKey ALQKHEBLLWZULR-UHFFFAOYSA-N
Mol Weight 550.45 g/mol
Molecular Formula C28H20F6O5
Exact Mass 550.121493 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LibewbgRvCZ
Name 2,2-BIS(HYDROXYMETHYL)-3,4-DIHYDRO-1(2H)-NAPHTHALENONE, BIS(alpha,alpha,alpha-TRIFLUORO-m-TOLUATE)
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20F6O5
InChI InChI=1S/C28H20F6O5/c29-27(30,31)20-8-3-6-18(13-20)24(36)38-15-26(12-11-17-5-1-2-10-22(17)23(26)35)16-39-25(37)19-7-4-9-21(14-19)28(32,33)34/h1-10,13-14H,11-12,15-16H2
InChIKey ALQKHEBLLWZULR-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 106-110C
Molecular Weight 550.45
Solvent CDCl3; Reference=TMS; Temperature 297K