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Pestalotether D
SpectraBase Compound ID Gz01M7yZwnP
InChI InChI=1S/C18H18O8/c1-9-5-12(19)15(18(22)25-4)14(6-9)26-16-11(17(21)24-3)7-10(23-2)8-13(16)20/h5-8,19-20H,1-4H3
InChIKey QVUUGDKCVIHHKR-UHFFFAOYSA-N
Mol Weight 362.33 g/mol
Molecular Formula C18H18O8
Exact Mass 362.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQO1VwHEooE
Name Pestalotether D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O8
InChI InChI=1S/C18H18O8/c1-9-5-12(19)15(18(22)25-4)14(6-9)26-16-11(17(21)24-3)7-10(23-2)8-13(16)20/h5-8,19-20H,1-4H3
InChIKey QVUUGDKCVIHHKR-UHFFFAOYSA-N
Molecular Weight 362.334 g/mol
SMILES Oc1c(c(Oc2c(cc(cc2C(=O)OC)OC)O)cc(c1)C)C(=O)OC
SPLASH splash10-03e9-0009000000-335cfd920e95ad1df2ea
Source of Spectrum F-68-2305-4
Synonyms 2-Hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid methyl ester Methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate Methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate Methyl 2-(4-methoxy-2-methoxycarbonyl-6-oxidanyl-phenoxy)-4-methyl-6-oxidanyl-benzoate
Wiley ID 1708003