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4-Benzyloxy-5-chloro-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoic acid
SpectraBase Compound ID HOQxVEnYdzd
InChI InChI=1S/C26H25ClO8/c1-13-19(25(29)30)17(11-18(21(13)27)34-12-16-9-7-6-8-10-16)35-24-15(3)22(28)20(26(31)33-5)14(2)23(24)32-4/h6-11,28H,12H2,1-5H3,(H,29,30)
InChIKey NVDBYPBKVISSCX-UHFFFAOYSA-N
Mol Weight 500.93 g/mol
Molecular Formula C26H25ClO8
Exact Mass 500.123795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kxm2rhQCpGz
Name 4-Benzyloxy-5-chloro-2-(5'-hydroxy-2'-methoxy-4'-methoxycarbonyl-3',6'-dimethylphenoxy)-6-methylbenzoic acid
Alternate Name(s) 4-(benzyloxy)-3-chloro-6-[3-hydroxy-6-methoxy-4-(methoxycarbonyl)-2,5-dimethylphenoxy]-2-methylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25ClO8
InChI InChI=1S/C26H25ClO8/c1-13-19(25(29)30)17(11-18(21(13)27)34-12-16-9-7-6-8-10-16)35-24-15(3)22(28)20(26(31)33-5)14(2)23(24)32-4/h6-11,28H,12H2,1-5H3,(H,29,30)
InChIKey NVDBYPBKVISSCX-UHFFFAOYSA-N
Molecular Weight 500.931 g/mol
SMILES OC(c1c(Oc2c(c(c(c(c2C)O)C(=O)OC)C)OC)cc(c(c1C)Cl)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-2e32f0feb80bd3d682aa
Source of Spectrum B-48-635-0
Wiley ID 1398842