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3'-Hydroxy-5'-pentylphenyl 2,4-dibenzyloxy-6-propylbenzoate

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uNlsjwXp5c
Name 3'-Hydroxy-5'-pentylphenyl 2,4-dibenzyloxy-6-propylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.271924319 u
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 C=1(C(OC=2C=C(O)C=C(C2)CCCCC)=O)C(=CC(=CC1CCC)OCC1=CC=CC=C1)OCC=1C=CC=CC1