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Benzoic acid, 3-chloro-4-methoxy-2,5-dimethyl-6-(phenylmethoxy)-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester

View entire compound with spectra: 2 MS (GC)

Benzoic acid, 3-chloro-4-methoxy-2,5-dimethyl-6-(phenylmethoxy)-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID 8uAZqyrZymN
InChI InChI=1S/C28H29ClO7/c1-14-15(2)24(17(4)23(30)20(14)27(31)34-7)36-28(32)21-16(3)22(29)26(33-6)18(5)25(21)35-13-19-11-9-8-10-12-19/h8-12,30H,13H2,1-7H3
InChIKey XONYVCXUTIJGSI-UHFFFAOYSA-N
Mol Weight 512.99 g/mol
Molecular Formula C28H29ClO7
Exact Mass 512.160181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6caFWg6MBky
Name Benzoic acid, 3-chloro-4-methoxy-2,5-dimethyl-6-(phenylmethoxy)-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 111258-39-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29ClO7
InChI InChI=1S/C28H29ClO7/c1-14-15(2)24(17(4)23(30)20(14)27(31)34-7)36-28(32)21-16(3)22(29)26(33-6)18(5)25(21)35-13-19-11-9-8-10-12-19/h8-12,30H,13H2,1-7H3
InChIKey XONYVCXUTIJGSI-UHFFFAOYSA-N
Molecular Weight 512.986 g/mol
SMILES Oc1c(c(OC(c2c(c(C)c(c(c2C)Cl)OC)OCc2ccccc2)=O)c(c(c1C(=O)OC)C)C)C
SPLASH splash10-0006-9000000000-c010455bbfacef8bd76f
Source of Spectrum B-40-1590-33
Synonyms 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 2-(benzyloxy)-5-chloro-4-methoxy-3,6-dimethylbenzoate Methyl 2-O-benzyl-4-O-methyleriodermate Methyl 4-(5'-chloro-2'-benzyloxy-4'-methoxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate Methyl 4-(5'-chloro-4'-benzyloxy-2'-methoxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate Methyl 4-O-benzyl-2-O-methyleriodermate
Wiley ID 1400810