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Benzoic acid, 2-hydroxy-4-[[2-methoxy-3,6-dimethyl-4-(phenylmethoxy)benzoyl]oxy]-3,6-dimethyl-, phenylmethyl ester
SpectraBase Compound ID vXDr0wUe5h
InChI InChI=1S/C33H32O7/c1-20-17-27(22(3)30(34)28(20)32(35)39-19-25-14-10-7-11-15-25)40-33(36)29-21(2)16-26(23(4)31(29)37-5)38-18-24-12-8-6-9-13-24/h6-17,34H,18-19H2,1-5H3
InChIKey NVPHPHQJIVHEAX-UHFFFAOYSA-N
Mol Weight 540.6 g/mol
Molecular Formula C33H32O7
Exact Mass 540.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTqzmYPtPsk
Name Benzoic acid, 2-hydroxy-4-[[2-methoxy-3,6-dimethyl-4-(phenylmethoxy)benzoyl]oxy]-3,6-dimethyl-, phenylmethyl ester
CAS Registry Number 125304-85-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H32O7
InChI InChI=1S/C33H32O7/c1-20-17-27(22(3)30(34)28(20)32(35)39-19-25-14-10-7-11-15-25)40-33(36)29-21(2)16-26(23(4)31(29)37-5)38-18-24-12-8-6-9-13-24/h6-17,34H,18-19H2,1-5H3
InChIKey NVPHPHQJIVHEAX-UHFFFAOYSA-N
Molecular Weight 540.612 g/mol
SMILES Oc1c(c(OC(c2c(c(C)c(cc2C)OCc2ccccc2)OC)=O)cc(c1C(OCc1ccccc1)=O)C)C
SPLASH splash10-00kf-9080000000-26adb81abde2cc2d0998
Source of Spectrum B-42-1199-24
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-2,5-dimethylphenyl 4-(benzyloxy)-2-methoxy-3,6-dimethylbenzoate Benzyl 4-(4-benzyloxy-2-methoxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoate Benzyl 4-O-benzyl-4-O-demethyldiffractate
Wiley ID 1404675