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Benzoic acid, 3-chloro-4,6-dihydroxy-2,5-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
SpectraBase Compound ID G6oqlqLXmZz
InChI InChI=1S/C18H17ClO7/c1-7-5-10(6-11(20)12(7)17(23)25-4)26-18(24)13-8(2)14(19)16(22)9(3)15(13)21/h5-6,20-22H,1-4H3
InChIKey BZJZYNCPJJSJLS-UHFFFAOYSA-N
Mol Weight 380.78 g/mol
Molecular Formula C18H17ClO7
Exact Mass 380.066281 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cJO8RYRfBJ
Name Benzoic acid, 3-chloro-4,6-dihydroxy-2,5-dimethyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
Alternate Name(s) 3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 3-chloro-4,6-dihydroxy-2,5-dimethylbenzoate Methyl 4-(5-chloro-2,4-dihydroxy-3,6-dimethylbenzoyloxy)-2-hydroxy-6-methylbenzoate Methyl 5-chloronorobtusatate
CAS Registry Number 125304-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClO7
InChI InChI=1S/C18H17ClO7/c1-7-5-10(6-11(20)12(7)17(23)25-4)26-18(24)13-8(2)14(19)16(22)9(3)15(13)21/h5-6,20-22H,1-4H3
InChIKey BZJZYNCPJJSJLS-UHFFFAOYSA-N
Molecular Weight 380.780 g/mol
SMILES Oc1c(c(c(C(Oc2cc(c(c(c2)C)C(=O)OC)O)=O)c(c1Cl)C)O)C
SPLASH splash10-0udi-0900000000-47f43fbb28e01652eb7a
Source of Spectrum B-42-1198-4
Wiley ID 1359560