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Hexyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
SpectraBase Compound ID GFSqgNPyTW6
InChI InChI=1S/C42H53FO4/c1-4-6-8-10-11-12-13-15-26-45-41-25-23-38(30-40(41)43)34-18-16-33(17-19-34)31-47-39-24-22-36-28-35(20-21-37(36)29-39)32(3)42(44)46-27-14-9-7-5-2/h16-25,28-30,32H,4-15,26-27,31H2,1-3H3/t32-/m0/s1
InChIKey LCBLIODSHFJRGB-YTTGMZPUSA-N
Mol Weight 640.9 g/mol
Molecular Formula C42H53FO4
Exact Mass 640.392788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3809wdjVqEd
Name Hexyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
Alternate Name(s) Hexyl (2S)-2-(6-{[4'-(decyloxy)-3'-fluoro[1,1'-biphenyl]-4-yl]methoxy}-2-naphthyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H53FO4
InChI InChI=1S/C42H53FO4/c1-4-6-8-10-11-12-13-15-26-45-41-25-23-38(30-40(41)43)34-18-16-33(17-19-34)31-47-39-24-22-36-28-35(20-21-37(36)29-39)32(3)42(44)46-27-14-9-7-5-2/h16-25,28-30,32H,4-15,26-27,31H2,1-3H3/t32-/m0/s1
InChIKey LCBLIODSHFJRGB-YTTGMZPUSA-N
Molecular Weight 640.880 g/mol
SMILES c1(cc2ccc(cc2cc1)OCc1ccc(-c2cc(F)c(cc2)OCCCCCCCCCC)cc1)[C@@](C(=O)OCCCCCC)(C)[H]
SPLASH splash10-0f6x-0069001000-921bb81e590707360fe7
Source of Spectrum QC-25-1702-10
Wiley ID 1584375