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Benzoic acid, 2-hydroxy-4-[[2-(3-oxopentyl)-4,6-bis(phenylmethoxy)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
SpectraBase Compound ID JYvnrDc8lsf
InChI InChI=1S/C45H46O8/c1-3-5-9-22-35-26-39(27-40(47)42(35)44(48)52-31-34-20-14-8-15-21-34)53-45(49)43-36(23-24-37(46)4-2)25-38(50-29-32-16-10-6-11-17-32)28-41(43)51-30-33-18-12-7-13-19-33/h6-8,10-21,25-28,47H,3-5,9,22-24,29-31H2,1-2H3
InChIKey CMWBXDJWIXKELG-UHFFFAOYSA-N
Mol Weight 714.9 g/mol
Molecular Formula C45H46O8
Exact Mass 714.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnutgDQdFWq
Name Benzoic acid, 2-hydroxy-4-[[2-(3-oxopentyl)-4,6-bis(phenylmethoxy)benzoyl]oxy]-6-pentyl-, phenylmethyl ester
CAS Registry Number 105705-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H46O8
InChI InChI=1S/C45H46O8/c1-3-5-9-22-35-26-39(27-40(47)42(35)44(48)52-31-34-20-14-8-15-21-34)53-45(49)43-36(23-24-37(46)4-2)25-38(50-29-32-16-10-6-11-17-32)28-41(43)51-30-33-18-12-7-13-19-33/h6-8,10-21,25-28,47H,3-5,9,22-24,29-31H2,1-2H3
InChIKey CMWBXDJWIXKELG-UHFFFAOYSA-N
Molecular Weight 714.855 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CCC(=O)CC)OCc2ccccc2)OCc2ccccc2)=O)cc(c1C(OCc1ccccc1)=O)CCCCC
SPLASH splash10-0006-9200000000-84c38f58c74ee96d3381
Source of Spectrum B-39-797-19
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-pentylphenyl 2,4-bis(benzyloxy)-6-(3-oxopentyl)benzoate Benzyl 4-[2,4-dibenzyloxy-6-(3-oxopentyl)benzoyloxy]-2-hydroxy-6-pentylbenzoate
Wiley ID 1415478