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

*Links on SpectraBase are not permalinks.
benzyl 4-(4'-benzyloxy-6'-heptyl-2'-methoxybenzoyloxy)-2-hydroxy-6-pentylbenzoate
SpectraBase Compound ID 5pn7PJnQ5Ny
InChI InChI=1S/C41H48O7/c1-4-6-8-9-17-23-33-24-34(46-28-30-18-13-10-14-19-30)27-37(45-3)39(33)41(44)48-35-25-32(22-12-7-5-2)38(36(42)26-35)40(43)47-29-31-20-15-11-16-21-31/h10-11,13-16,18-21,24-27,42H,4-9,12,17,22-23,28-29H2,1-3H3
InChIKey VIMQAQUFGCNJFF-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C41H48O7
Exact Mass 652.340004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8hb4qFR2aLg
Name benzyl 4-(4'-benzyloxy-6'-heptyl-2'-methoxybenzoyloxy)-2-hydroxy-6-pentylbenzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H48O7
InChI InChI=1S/C41H48O7/c1-4-6-8-9-17-23-33-24-34(46-28-30-18-13-10-14-19-30)27-37(45-3)39(33)41(44)48-35-25-32(22-12-7-5-2)38(36(42)26-35)40(43)47-29-31-20-15-11-16-21-31/h10-11,13-16,18-21,24-27,42H,4-9,12,17,22-23,28-29H2,1-3H3
InChIKey VIMQAQUFGCNJFF-UHFFFAOYSA-N
Molecular Weight 652.828 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CCCCCCC)OCc2ccccc2)OC)=O)cc(c1C(OCc1ccccc1)=O)CCCCC
SPLASH splash10-0006-9002000000-2169c25a1ab0e50f68bc
Source of Spectrum B-47-1345-0
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 4-(benzyloxy)-2-heptyl-6-methoxybenzoate
Wiley ID 1413238