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

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Benzoic acid, 3-chloro-6-methoxy-2,5-dimethyl-4-(phenylmethoxy)-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID IEnLNpieUIU
InChI InChI=1S/C29H31ClO7/c1-15-16(2)24(18(4)25(33-6)21(15)28(31)35-8)37-29(32)22-17(3)23(30)27(19(5)26(22)34-7)36-14-20-12-10-9-11-13-20/h9-13H,14H2,1-8H3
InChIKey WVSZAJDFIAMUDW-UHFFFAOYSA-N
Mol Weight 527.01 g/mol
Molecular Formula C29H31ClO7
Exact Mass 526.175831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjVMka1PlYJ
Name Benzoic acid, 3-chloro-6-methoxy-2,5-dimethyl-4-(phenylmethoxy)-, 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
Alternate Name(s) 3-methoxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 4-(benzyloxy)-3-chloro-6-methoxy-2,5-dimethylbenzoate Methyl 4-(5'-chloro-2'-methoxy-4'-benzyloxy-3',6'-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate Methyl 4-O-benzyl-2,2'-di-O-methyleriodermate
CAS Registry Number 111258-40-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31ClO7
InChI InChI=1S/C29H31ClO7/c1-15-16(2)24(18(4)25(33-6)21(15)28(31)35-8)37-29(32)22-17(3)23(30)27(19(5)26(22)34-7)36-14-20-12-10-9-11-13-20/h9-13H,14H2,1-8H3
InChIKey WVSZAJDFIAMUDW-UHFFFAOYSA-N
Molecular Weight 527.013 g/mol
SMILES c1(C(Oc2c(c(OC)c(c(c2C)C)C(=O)OC)C)=O)c(c(C)c(c(c1C)Cl)OCc1ccccc1)OC
SPLASH splash10-0udi-0009000000-3e4315412ca393654a37
Source of Spectrum B-40-1590-34
Wiley ID 1402821