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Benzoic acid, 3-chloro-4,6-dihydroxy-2,5-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
SpectraBase Compound ID A41SqRH3Eo2
InChI InChI=1S/C20H21ClO7/c1-7-8(2)18(11(5)16(23)12(7)19(25)27-6)28-20(26)13-9(3)14(21)17(24)10(4)15(13)22/h22-24H,1-6H3
InChIKey JRRDMTGUWFCEHF-UHFFFAOYSA-N
Mol Weight 408.83 g/mol
Molecular Formula C20H21ClO7
Exact Mass 408.097581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KR0Id5OnOvh
Name Benzoic acid, 3-chloro-4,6-dihydroxy-2,5-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl ester
CAS Registry Number 111258-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClO7
InChI InChI=1S/C20H21ClO7/c1-7-8(2)18(11(5)16(23)12(7)19(25)27-6)28-20(26)13-9(3)14(21)17(24)10(4)15(13)22/h22-24H,1-6H3
InChIKey JRRDMTGUWFCEHF-UHFFFAOYSA-N
Molecular Weight 408.834 g/mol
SMILES Oc1c(c(OC(c2c(c(c(c(c2C)Cl)O)C)O)=O)c(c(c1C(=O)OC)C)C)C
SPLASH splash10-0f92-0920000000-fec7f164a4f24d2788c6
Source of Spectrum B-40-1589-5
Synonyms 3-Hydroxy-4-(methoxycarbonyl)-2,5,6-trimethylphenyl 3-chloro-4,6-dihydroxy-2,5-dimethylbenzoate Methyl 4-(5'-chloro-2',4'-dihydroxy-3',6'-dimethylbenzoyloxy)-2-hydroxy-3,5,6-trimethylbenzoate(methyl eriodermate)
Wiley ID 1372826