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[4,8-Bis(decyloxy)-5-(4-fluorobenzoyl)naphthalene, 1-(4-fluorobenzoyl)-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

[4,8-Bis(decyloxy)-5-(4-fluorobenzoyl)naphthalene, 1-(4-fluorobenzoyl)-
SpectraBase Compound ID Ee6q21UwYii
InChI InChI=1S/C44H54F2O4/c1-3-5-7-9-11-13-15-17-31-49-39-29-27-38(44(48)34-21-25-36(46)26-22-34)42-40(50-32-18-16-14-12-10-8-6-4-2)30-28-37(41(39)42)43(47)33-19-23-35(45)24-20-33/h19-30H,3-18,31-32H2,1-2H3
InChIKey NVMVQSCKUVHMSS-UHFFFAOYSA-N
Mol Weight 684.9 g/mol
Molecular Formula C44H54F2O4
Exact Mass 684.399017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1x0LrbrXned
Name [4,8-bis(Decyloxy)-5-(4-fluorobenzoyl)naphthalene, 1-(4-fluorobenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 684.399016541 u
Formula C44H54F2O4
InChI InChI=1S/C44H54F2O4/c1-3-5-7-9-11-13-15-17-31-49-39-29-27-38(44(48)34-21-25-36(46)26-22-34)42-40(50-32-18-16-14-12-10-8-6-4-2)30-28-37(41(39)42)43(47)33-19-23-35(45)24-20-33/h19-30H,3-18,31-32H2,1-2H3
InChIKey NVMVQSCKUVHMSS-UHFFFAOYSA-N
Molecular Weight 684.909 g/mol
SMILES C1=C(F)C=CC(=C1)C(=O)C1=CC=C(C=2C1=C(OCCCCCCCCCC)C=CC2C(=O)C1=CC=C(C=C1)F)OCCCCCCCCCC