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Benzoic acid, 3,5-diformyl-2,4-dihydroxy-6-methyl-, 4-chloro-3-methoxy-2,5,6-trimethylphenyl ester
SpectraBase Compound ID 4aAkCswLJ78
InChI InChI=1S/C20H19ClO7/c1-8-9(2)18(11(4)19(27-5)15(8)21)28-20(26)14-10(3)12(6-22)16(24)13(7-23)17(14)25/h6-7,24-25H,1-5H3
InChIKey FFZZBFXZPRPHHF-UHFFFAOYSA-N
Mol Weight 406.82 g/mol
Molecular Formula C20H19ClO7
Exact Mass 406.081931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdR5XPGbpN0
Name Benzoic acid, 3,5-diformyl-2,4-dihydroxy-6-methyl-, 4-chloro-3-methoxy-2,5,6-trimethylphenyl ester
CAS Registry Number 113689-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO7
InChI InChI=1S/C20H19ClO7/c1-8-9(2)18(11(4)19(27-5)15(8)21)28-20(26)14-10(3)12(6-22)16(24)13(7-23)17(14)25/h6-7,24-25H,1-5H3
InChIKey FFZZBFXZPRPHHF-UHFFFAOYSA-N
Molecular Weight 406.818 g/mol
SMILES Oc1c(c(c(c(c1C=O)C)C(Oc1c(c(OC)c(c(c1C)C)Cl)C)=O)O)C=O
SPLASH splash10-0udi-0960000000-c6e9dfcaa532d23bcb29
Source of Spectrum B-40-2028-7
Synonyms 4-Chloro-3-methoxy-2,5,6-trimethylphenyl 3,5-diformyl-2,4-dihydroxy-6-methylbenzoate 4-Chloro-3-methoxy-2,5,6-trimethylphenyl 3,5-diformyl-2,4-dihydroxy-6-methylbenzoate (1'-chloronephroarctin)
Wiley ID 1372046