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3'-hydroxy-5'-pentylphenyl 2,4-dibenzyloxy-6-propylbenzoate
SpectraBase Compound ID Ajbq8cILRWS
InChI InChI=1S/C35H38O5/c1-3-5-8-18-28-19-30(36)22-32(20-28)40-35(37)34-29(13-4-2)21-31(38-24-26-14-9-6-10-15-26)23-33(34)39-25-27-16-11-7-12-17-27/h6-7,9-12,14-17,19-23,36H,3-5,8,13,18,24-25H2,1-2H3
InChIKey JJVVYFLLSLTRDX-UHFFFAOYSA-N
Mol Weight 538.7 g/mol
Molecular Formula C35H38O5
Exact Mass 538.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbLO1o2SpNl
Name 3'-hydroxy-5'-pentylphenyl 2,4-dibenzyloxy-6-propylbenzoate
Alternate Name(s) 3-Hydroxy-5-pentylphenyl 2,4-bis(benzyloxy)-6-propylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H38O5
InChI InChI=1S/C35H38O5/c1-3-5-8-18-28-19-30(36)22-32(20-28)40-35(37)34-29(13-4-2)21-31(38-24-26-14-9-6-10-15-26)23-33(34)39-25-27-16-11-7-12-17-27/h6-7,9-12,14-17,19-23,36H,3-5,8,13,18,24-25H2,1-2H3
InChIKey JJVVYFLLSLTRDX-UHFFFAOYSA-N
Molecular Weight 538.684 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CCC)OCc2ccccc2)OCc2ccccc2)=O)cc(c1)CCCCC
SPLASH splash10-052f-9007000000-e5ba853f48ae89efec01
Source of Spectrum JA-50-1145-0
Wiley ID 1404403