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Pentyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
SpectraBase Compound ID 49VmxcsGbAU
InChI InChI=1S/C41H51FO4/c1-4-6-8-9-10-11-12-14-25-44-40-24-22-37(29-39(40)42)33-17-15-32(16-18-33)30-46-38-23-21-35-27-34(19-20-36(35)28-38)31(3)41(43)45-26-13-7-5-2/h15-24,27-29,31H,4-14,25-26,30H2,1-3H3/t31-/m0/s1
InChIKey KZAYHKYGPHUYAE-HKBQPEDESA-N
Mol Weight 626.9 g/mol
Molecular Formula C41H51FO4
Exact Mass 626.377138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpSPXHE0D9F
Name Pentyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H51FO4
InChI InChI=1S/C41H51FO4/c1-4-6-8-9-10-11-12-14-25-44-40-24-22-37(29-39(40)42)33-17-15-32(16-18-33)30-46-38-23-21-35-27-34(19-20-36(35)28-38)31(3)41(43)45-26-13-7-5-2/h15-24,27-29,31H,4-14,25-26,30H2,1-3H3/t31-/m0/s1
InChIKey KZAYHKYGPHUYAE-HKBQPEDESA-N
Molecular Weight 626.853 g/mol
SMILES c1(cc2ccc(cc2cc1)OCc1ccc(-c2cc(F)c(cc2)OCCCCCCCCCC)cc1)[C@@](C(=O)OCCCCC)(C)[H]
SPLASH splash10-0f6x-0069000000-faf8dfa6583c2997cb19
Source of Spectrum QC-25-1702-10
Synonyms Pentyl (2S)-2-(6-{[4'-(decyloxy)-3'-fluoro[1,1'-biphenyl]-4-yl]methoxy}-2-naphthyl)propanoate
Wiley ID 1584377