For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Benzoic acid, 6-hydroxy-4-methoxy-3-[2-(methoxycarbonyl)-3-pentyl-5-(phenylmethoxy)phenoxy]-2-pentyl-, phenylmethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 6-hydroxy-4-methoxy-3-[2-(methoxycarbonyl)-3-pentyl-5-(phenylmethoxy)phenoxy]-2-pentyl-, phenylmethyl ester
SpectraBase Compound ID 5DLnAagSOD
InChI InChI=1S/C40H46O8/c1-5-7-11-21-30-23-31(46-26-28-17-13-9-14-18-28)24-34(36(30)39(42)45-4)48-38-32(22-12-8-6-2)37(33(41)25-35(38)44-3)40(43)47-27-29-19-15-10-16-20-29/h9-10,13-20,23-25,41H,5-8,11-12,21-22,26-27H2,1-4H3
InChIKey OKSVOTYDLSWXMM-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C40H46O8
Exact Mass 654.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I7JAq65GLZl
Name Benzoic acid, 6-hydroxy-4-methoxy-3-[2-(methoxycarbonyl)-3-pentyl-5-(phenylmethoxy)phenoxy]-2-pentyl-, phenylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 654.319268433 u
Formula C40H46O8
InChI InChI=1S/C40H46O8/c1-5-7-11-21-30-23-31(46-26-28-17-13-9-14-18-28)24-34(36(30)39(42)45-4)48-38-32(22-12-8-6-2)37(33(41)25-35(38)44-3)40(43)47-27-29-19-15-10-16-20-29/h9-10,13-20,23-25,41H,5-8,11-12,21-22,26-27H2,1-4H3
InChIKey OKSVOTYDLSWXMM-UHFFFAOYSA-N
Molecular Weight 654.800 g/mol
SMILES C=1(C(=C(OC=2C(=C(CCCCC)C=C(C2)OCC=2C=CC=CC2)C(=O)OC)C(=CC1O)OC)CCCCC)C(OCC=1C=CC=CC1)=O