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2'-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-4''-fluoro-[1,1':3',1''-terphenyl]-3-carboxylate

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2'-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-4''-fluoro-[1,1':3',1''-terphenyl]-3-carboxylate
SpectraBase Compound ID 3xtjiUmANev
InChI InChI=1S/C26H24FNO3/c1-4-30-25(29)19-8-5-7-18(15-19)22-10-6-9-21(17-11-13-20(27)14-12-17)23(22)24-28-26(2,3)16-31-24/h5-15H,4,16H2,1-3H3
InChIKey FHLFLBQTBJMHBQ-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C26H24FNO3
Exact Mass 417.174022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EUmMEXmGND
Name 2'-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-4''-fluoro-[1,1':3',1''-terphenyl]-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.174021797 u
Formula C26H24FNO3
InChI InChI=1S/C26H24FNO3/c1-4-30-25(29)19-8-5-7-18(15-19)22-10-6-9-21(17-11-13-20(27)14-12-17)23(22)24-28-26(2,3)16-31-24/h5-15H,4,16H2,1-3H3
InChIKey FHLFLBQTBJMHBQ-UHFFFAOYSA-N
Molecular Weight 417.480 g/mol
SMILES C1(C)(COC(=N1)C1=C(C=CC=C1C1=CC=CC(=C1)C(OCC)=O)C1=CC=C(F)C=C1)C