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Benzyl 4-benzyloxy-3-(2',4'-dibenzyloxy-6'-methylbenzoyloxy)-6-hydroxy-2-methylbenzoate
SpectraBase Compound ID BCBeBNtXw36
InChI InChI=1S/C44H38O8/c1-30-23-36(48-26-32-15-7-3-8-16-32)24-38(49-27-33-17-9-4-10-18-33)40(30)44(47)52-42-31(2)41(43(46)51-29-35-21-13-6-14-22-35)37(45)25-39(42)50-28-34-19-11-5-12-20-34/h3-25,45H,26-29H2,1-2H3
InChIKey JRIJVJSCTXWLFY-UHFFFAOYSA-N
Mol Weight 694.8 g/mol
Molecular Formula C44H38O8
Exact Mass 694.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yxp3zFUU2J
Name Benzyl 4-benzyloxy-3-(2',4'-dibenzyloxy-6'-methylbenzoyloxy)-6-hydroxy-2-methylbenzoate
Alternate Name(s) benzyl 4-(benzyloxy)-3-{[2,4-bis(benzyloxy)-6-methylbenzoyl]oxy}-6-hydroxy-2-methylbenzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H38O8
InChI InChI=1S/C44H38O8/c1-30-23-36(48-26-32-15-7-3-8-16-32)24-38(49-27-33-17-9-4-10-18-33)40(30)44(47)52-42-31(2)41(43(46)51-29-35-21-13-6-14-22-35)37(45)25-39(42)50-28-34-19-11-5-12-20-34/h3-25,45H,26-29H2,1-2H3
InChIKey JRIJVJSCTXWLFY-UHFFFAOYSA-N
Molecular Weight 694.780 g/mol
SMILES Oc1c(c(c(OC(c2c(cc(cc2C)OCc2ccccc2)OCc2ccccc2)=O)c(c1)OCc1ccccc1)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9004000000-2bdf08e4132b436c8f37
Source of Spectrum B-51-1050-36
Wiley ID 745862