3,5-Dichloro-2-[2,4-dihydroxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methylbenzoic acid

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Systematic / IUPAC Name: 3,5-Dichloro-2-(2,4-dihydroxy-6-methoxycarbonylphenoxy)-6-methoxy-4-methylbenzoic acid

ID: Reference7677

Other Names: Benzoic acid, 3,5-dichloro-2-[2,4-dihydroxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methyl-

Formula: C17H14Cl2O8

Spectral Data

3,5-Dichloro-2-[2,4-dihydroxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methylbenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/3/2018 9:51:40 AM
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Identificators

InChI InChI=1S/C17H14Cl2O8/c1-6-11(18)14(25-2)10(16(22)23)15(12(6)19)27-13-8(17(24)26-3)4-7(20)5-9(13)21/h4-5,20-21H,1-3H3,(H,22,23)
InChI Key IJSJXKCVRHBPSG-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=C(C(=C1Cl)OC)C(=O)O)OC2=C(C=C(C=C2C(=O)OC)O)O)Cl
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Other Names Benzoic acid, 3,5-dichloro-2-[2,4-dihydroxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methyl-

In Other Databases

ChemSpider 22369794
PubChem 23757112