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Pentyl (S)-2-{6-[4-(4'-nonyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
SpectraBase Compound ID 2oDPl6qMYWW
InChI InChI=1S/C40H49FO4/c1-4-6-8-9-10-11-13-24-43-39-23-21-36(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)44-25-12-7-5-2/h14-23,26-28,30H,4-13,24-25,29H2,1-3H3/t30-/m0/s1
InChIKey YRFBGNVKUVCTIN-PMERELPUSA-N
Mol Weight 612.8 g/mol
Molecular Formula C40H49FO4
Exact Mass 612.361488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0qfMpxvIXo
Name Pentyl (S)-2-{6-[4-(4'-nonyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
Alternate Name(s) Pentyl (2S)-2-(6-{[3'-fluoro-4'-(nonyloxy)[1,1'-biphenyl]-4-yl]methoxy}-2-naphthyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H49FO4
InChI InChI=1S/C40H49FO4/c1-4-6-8-9-10-11-13-24-43-39-23-21-36(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)44-25-12-7-5-2/h14-23,26-28,30H,4-13,24-25,29H2,1-3H3/t30-/m0/s1
InChIKey YRFBGNVKUVCTIN-PMERELPUSA-N
Molecular Weight 612.826 g/mol
SMILES c1(cc2ccc(cc2cc1)OCc1ccc(-c2cc(F)c(cc2)OCCCCCCCCC)cc1)[C@@](C(=O)OCCCCC)(C)[H]
SPLASH splash10-0fb9-0079001000-b215bd5c3f7fa68377e1
Source of Spectrum QC-25-1702-10
Wiley ID 1584378