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Methyl 3-(bis(4-fluorophenyl)methyl)-6-hydroxy-2,4-dimethyl-5-decylbenzoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-(bis(4-fluorophenyl)methyl)-6-hydroxy-2,4-dimethyl-5-decylbenzoate
SpectraBase Compound ID CspKEaFs7dR
InChI InChI=1S/C33H40F2O3/c1-5-6-7-8-9-10-11-12-13-28-22(2)29(23(3)30(32(28)36)33(37)38-4)31(24-14-18-26(34)19-15-24)25-16-20-27(35)21-17-25/h14-21,31,36H,5-13H2,1-4H3
InChIKey VMRVZHJOOGPXGT-UHFFFAOYSA-N
Mol Weight 522.7 g/mol
Molecular Formula C33H40F2O3
Exact Mass 522.294551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JrBmUVNlQ
Name Methyl 3-(bis(4-fluorophenyl)methyl)-6-hydroxy-2,4-dimethyl-5-decylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H40F2O3
InChI InChI=1S/C33H40F2O3/c1-5-6-7-8-9-10-11-12-13-28-22(2)29(23(3)30(32(28)36)33(37)38-4)31(24-14-18-26(34)19-15-24)25-16-20-27(35)21-17-25/h14-21,31,36H,5-13H2,1-4H3
InChIKey VMRVZHJOOGPXGT-UHFFFAOYSA-N
Molecular Weight 522.677 g/mol
SMILES Oc1c(c(c(C(c2ccc(cc2)F)c2ccc(cc2)F)c(c1CCCCCCCCCC)C)C)C(=O)OC
SPLASH splash10-024l-1198880000-1a95cbe44674ea117a17
Source of Spectrum F-66-1649-6r
Wiley ID 1682542