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Benzoic acid, 3,5-dichloro-2-hydroxy-4-methoxy-6-methyl-, 2-chloro-3,5-dihydroxy-4-[(phenylmethoxy)carbonyl]phenyl ester
SpectraBase Compound ID 1dviP6crbwZ
InChI InChI=1S/C23H17Cl3O8/c1-10-14(19(28)18(26)21(32-2)16(10)24)23(31)34-13-8-12(27)15(20(29)17(13)25)22(30)33-9-11-6-4-3-5-7-11/h3-8,27-29H,9H2,1-2H3
InChIKey XASCZUCLYBQAKJ-UHFFFAOYSA-N
Mol Weight 527.74 g/mol
Molecular Formula C23H17Cl3O8
Exact Mass 525.998901 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ks7VciBJ4C8
Name Benzoic acid, 3,5-dichloro-2-hydroxy-4-methoxy-6-methyl-, 2-chloro-3,5-dihydroxy-4-[(phenylmethoxy)carbonyl]phenyl ester
Alternate Name(s) 4-[(benzyloxy)carbonyl]-2-chloro-3,5-dihydroxyphenyl 3,5-dichloro-2-hydroxy-4-methoxy-6-methylbenzoate Benzyl 3-chloro-4-(3',5'-dichloro-2'-hydroxy-4'-methoxy-6'-methylbenzoyloxy)-2,6-dihydroxybenzoate
CAS Registry Number 131524-57-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17Cl3O8
InChI InChI=1S/C23H17Cl3O8/c1-10-14(19(28)18(26)21(32-2)16(10)24)23(31)34-13-8-12(27)15(20(29)17(13)25)22(30)33-9-11-6-4-3-5-7-11/h3-8,27-29H,9H2,1-2H3
InChIKey XASCZUCLYBQAKJ-UHFFFAOYSA-N
Molecular Weight 527.740 g/mol
SMILES Oc1c(c(cc(c1Cl)OC(c1c(c(Cl)c(c(c1C)Cl)OC)O)=O)O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-6d4cecd71167f3413925
Source of Spectrum B-43-1756-24
Wiley ID 1402751