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Benzoic acid, 2-hydroxy-4-[[6-methoxy-2-methyl-3,4-bis(phenylmethoxy)benzoyl]oxy]-6-methyl-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester

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

Benzoic acid, 2-hydroxy-4-[[6-methoxy-2-methyl-3,4-bis(phenylmethoxy)benzoyl]oxy]-6-methyl-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester
SpectraBase Compound ID 46fs3Q69RI6
InChI InChI=1S/C46H40O11/c1-28-20-34(22-36(47)40(28)44(49)55-27-33-18-12-7-13-19-33)56-45(50)41-29(2)21-35(23-37(41)48)57-46(51)42-30(3)43(54-26-32-16-10-6-11-17-32)39(24-38(42)52-4)53-25-31-14-8-5-9-15-31/h5-24,47-48H,25-27H2,1-4H3
InChIKey HIMOMIHYDVVSKV-UHFFFAOYSA-N
Mol Weight 768.8 g/mol
Molecular Formula C46H40O11
Exact Mass 768.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xuP26amBgI
Name Benzoic acid, 2-hydroxy-4-[[6-methoxy-2-methyl-3,4-bis(phenylmethoxy)benzoyl]oxy]-6-methyl-, 3-hydroxy-5-methyl-4-[(phenylmethoxy)carbonyl]phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 768.257062097 u
Formula C46H40O11
InChI InChI=1S/C46H40O11/c1-28-20-34(22-36(47)40(28)44(49)55-27-33-18-12-7-13-19-33)56-45(50)41-29(2)21-35(23-37(41)48)57-46(51)42-30(3)43(54-26-32-16-10-6-11-17-32)39(24-38(42)52-4)53-25-31-14-8-5-9-15-31/h5-24,47-48H,25-27H2,1-4H3
InChIKey HIMOMIHYDVVSKV-UHFFFAOYSA-N
Molecular Weight 768.815 g/mol
SMILES C=1(C(OC=2C=C(O)C(=C(C2)C)C(OC=2C=C(O)C(=C(C2)C)C(OCC=2C=CC=CC2)=O)=O)=O)C(=C(OCC=2C=CC=CC2)C(=CC1OC)OCC=1C=CC=CC1)C