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4'-(n-decyloxy)phenyl 4-[(S,S)-2,3-epoxy-(R)-1-fluorononyl]benzoate
SpectraBase Compound ID 95qSnRgMI4C
InChI InChI=1S/C32H45FO4/c1-3-5-7-9-10-11-12-14-24-35-27-20-22-28(23-21-27)36-32(34)26-18-16-25(17-19-26)30(33)31-29(37-31)15-13-8-6-4-2/h16-23,29-31H,3-15,24H2,1-2H3/t29-,30+,31-/m0/s1
InChIKey DTJNAMKRLNNDOO-YPKYBTACSA-N
Mol Weight 512.7 g/mol
Molecular Formula C32H45FO4
Exact Mass 512.330188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FO4KzL2uIsN
Name 4'-(n-decyloxy)phenyl 4-[(S,S)-2,3-epoxy-(R)-1-fluorononyl]benzoate
CAS Registry Number 117556-70-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H45FO4
InChI InChI=1S/C32H45FO4/c1-3-5-7-9-10-11-12-14-24-35-27-20-22-28(23-21-27)36-32(34)26-18-16-25(17-19-26)30(33)31-29(37-31)15-13-8-6-4-2/h16-23,29-31H,3-15,24H2,1-2H3/t29-,30+,31-/m0/s1
InChIKey DTJNAMKRLNNDOO-YPKYBTACSA-N
Molecular Weight 512.706 g/mol
SMILES [C@]1(O[C@]1(CCCCCC)[H])([C@@](c1ccc(C(Oc2ccc(cc2)OCCCCCCCCCC)=O)cc1)(F)[H])[H]
SPLASH splash10-03di-0090000000-0f1b9928912228c6c662
Source of Spectrum C-111-8689-2
Synonyms 4-(decyloxy)phenyl 4-{(R)-fluoro[(2S,3S)-3-hexyloxiranyl]methyl}benzoate
Wiley ID 1400889