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

*Links on SpectraBase are not permalinks.
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-propyl-, phenylmethyl ester
SpectraBase Compound ID KnMVfZRAaIW
InChI InChI=1S/C30H32O8/c1-4-9-20-14-24(17-26(33)27(20)29(34)37-18-19-11-7-6-8-12-19)38-30(35)28-21(13-22(31)10-5-2)15-23(36-3)16-25(28)32/h6-8,11-12,14-17,32-33H,4-5,9-10,13,18H2,1-3H3
InChIKey DQJKLDZYCVTIHE-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C30H32O8
Exact Mass 520.209718 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 GV0wtMFtURY
Name Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-propyl-, phenylmethyl ester
CAS Registry Number 127743-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O8
InChI InChI=1S/C30H32O8/c1-4-9-20-14-24(17-26(33)27(20)29(34)37-18-19-11-7-6-8-12-19)38-30(35)28-21(13-22(31)10-5-2)15-23(36-3)16-25(28)32/h6-8,11-12,14-17,32-33H,4-5,9-10,13,18H2,1-3H3
InChIKey DQJKLDZYCVTIHE-UHFFFAOYSA-N
Molecular Weight 520.578 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CC(=O)CCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCC
SPLASH splash10-0006-9420000000-15bca116d05257f38039
Source of Spectrum B-42-1979-37
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-propylphenyl 2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoate Benzyl 6-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-{(propylcarbonylmethyl)benzoyloxy}-2-propylbenzoate Benzyl loxodellate
Wiley ID 1401983