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Butyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate

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Butyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
SpectraBase Compound ID 6ArStjxrRh3
InChI InChI=1S/C40H49FO4/c1-4-6-8-9-10-11-12-13-25-43-39-23-21-36(28-38(39)41)32-16-14-31(15-17-32)29-45-37-22-20-34-26-33(18-19-35(34)27-37)30(3)40(42)44-24-7-5-2/h14-23,26-28,30H,4-13,24-25,29H2,1-3H3/t30-/m0/s1
InChIKey CBMMHKHFQFWCOS-PMERELPUSA-N
Mol Weight 612.8 g/mol
Molecular Formula C40H49FO4
Exact Mass 612.361488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3FwUWhIoPs
Name Butyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.361488217 u
Formula C40H49FO4
InChI InChI=1S/C40H49FO4/c1-4-6-8-9-10-11-12-13-25-43-39-23-21-36(28-38(39)41)32-16-14-31(15-17-32)29-45-37-22-20-34-26-33(18-19-35(34)27-37)30(3)40(42)44-24-7-5-2/h14-23,26-28,30H,4-13,24-25,29H2,1-3H3/t30-/m0/s1
InChIKey CBMMHKHFQFWCOS-PMERELPUSA-N
Molecular Weight 612.826 g/mol
SMILES C=1(C=C2C=CC(=CC2=CC1)OCC1=CC=C(C=2C=C(F)C(=CC2)OCCCCCCCCCC)C=C1)[C@@](C(=O)OCCCC)(C)[H]