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4-Benzyloxy-2-(3-benzyloxycarbonyl-4-hydroxy-6-methoxy-2-pentylphenoxy)-6-propylbenzoic acid
SpectraBase Compound ID H8mOGsqWU3m
InChI InChI=1S/C37H40O8/c1-4-6-9-19-29-34(37(41)44-24-26-17-12-8-13-18-26)30(38)22-32(42-3)35(29)45-31-21-28(43-23-25-15-10-7-11-16-25)20-27(14-5-2)33(31)36(39)40/h7-8,10-13,15-18,20-22,38H,4-6,9,14,19,23-24H2,1-3H3,(H,39,40)
InChIKey OZVXFSGYNXTBAE-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C37H40O8
Exact Mass 612.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lejulGMLys
Name 4-Benzyloxy-2-(3-benzyloxycarbonyl-4-hydroxy-6-methoxy-2-pentylphenoxy)-6-propylbenzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 612.272318240 u
Formula C37H40O8
InChI InChI=1S/C37H40O8/c1-4-6-9-19-29-34(37(41)44-24-26-17-12-8-13-18-26)30(38)22-32(42-3)35(29)45-31-21-28(43-23-25-15-10-7-11-16-25)20-27(14-5-2)33(31)36(39)40/h7-8,10-13,15-18,20-22,38H,4-6,9,14,19,23-24H2,1-3H3,(H,39,40)
InChIKey OZVXFSGYNXTBAE-UHFFFAOYSA-N
Molecular Weight 612.719 g/mol
SMILES C1(=C(C(OC=2C(=C(CCC)C=C(C2)OCC=2C=CC=CC2)C(=O)O)=C(C=C1O)OC)CCCCC)C(OCC1=CC=CC=C1)=O