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2-(2,4-Bis(4-(benzyloxy)-3-isopropylbenzyl)-3,5-dimethylphenoxy)acetic acid
SpectraBase Compound ID FvLuBo5dRsg
InChI InChI=1S/C44H48O5/c1-29(2)37-22-35(17-19-41(37)47-26-33-13-9-7-10-14-33)24-39-31(5)21-43(49-28-44(45)46)40(32(39)6)25-36-18-20-42(38(23-36)30(3)4)48-27-34-15-11-8-12-16-34/h7-23,29-30H,24-28H2,1-6H3,(H,45,46)
InChIKey VDATYOJFPPTGDS-UHFFFAOYSA-N
Mol Weight 656.9 g/mol
Molecular Formula C44H48O5
Exact Mass 656.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuuuVY1MpQv
Name 2-(2,4-Bis(4-(benzyloxy)-3-isopropylbenzyl)-3,5-dimethylphenoxy)acetic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H48O5
InChI InChI=1S/C44H48O5/c1-29(2)37-22-35(17-19-41(37)47-26-33-13-9-7-10-14-33)24-39-31(5)21-43(49-28-44(45)46)40(32(39)6)25-36-18-20-42(38(23-36)30(3)4)48-27-34-15-11-8-12-16-34/h7-23,29-30H,24-28H2,1-6H3,(H,45,46)
InChIKey VDATYOJFPPTGDS-UHFFFAOYSA-N
Molecular Weight 656.863 g/mol
SMILES OC(COc1c(c(c(Cc2cc(C(C)C)c(cc2)OCc2ccccc2)c(c1)C)C)Cc1cc(C(C)C)c(cc1)OCc1ccccc1)=O
SPLASH splash10-0aba-9210000000-4b147a302dc7379f66b0
Source of Spectrum F-70-6794-21
Wiley ID 1743210