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1-Fluoro-2-N-octyl-7-N-hexylphenanthrene

View entire compound with spectra: 2 NMR

1-Fluoro-2-N-octyl-7-N-hexylphenanthrene
SpectraBase Compound ID 8pRQQ2kFkjj
InChI InChI=1S/C28H37FO2/c1-3-5-7-9-10-12-20-31-27-18-17-25-24-16-14-23(30-19-11-8-6-4-2)21-22(24)13-15-26(25)28(27)29/h13-18,21H,3-12,19-20H2,1-2H3
InChIKey RHLAGTBFCQMXLZ-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H37FO2
Exact Mass 424.277759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfE63VCeQxn
Name 1-Fluoro-2-N-octyl-7-N-hexylphenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.277758592 u
Formula C28H37FO2
InChI InChI=1S/C28H37FO2/c1-3-5-7-9-10-12-20-31-27-18-17-25-24-16-14-23(30-19-11-8-6-4-2)21-22(24)13-15-26(25)28(27)29/h13-18,21H,3-12,19-20H2,1-2H3
InChIKey RHLAGTBFCQMXLZ-UHFFFAOYSA-N
Molecular Weight 424.600 g/mol
SMILES C(OC1=CC=C2C3=CC=C(C=C3C=CC2=C1F)OCCCCCC)CCCCCCC