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2-[(2,2-dimethyl-1-oxopropoxy)methyl]-3-formyl-4,6-dihydroxy-5-prop-2-enylbenzoic acid methyl ester
SpectraBase Compound ID JLiYYJQTC1z
InChI InChI=1S/C18H22O7/c1-6-7-10-14(20)11(8-19)12(9-25-17(23)18(2,3)4)13(15(10)21)16(22)24-5/h6,8,20-21H,1,7,9H2,2-5H3
InChIKey ZAILUKXISGTMSI-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C18H22O7
Exact Mass 350.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5HtmYCP7tw
Name 2-[(2,2-dimethyl-1-oxopropoxy)methyl]-3-formyl-4,6-dihydroxy-5-prop-2-enylbenzoic acid methyl ester
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Formula C18H22O7
InChI InChI=1S/C18H22O7/c1-6-7-10-14(20)11(8-19)12(9-25-17(23)18(2,3)4)13(15(10)21)16(22)24-5/h6,8,20-21H,1,7,9H2,2-5H3
InChIKey ZAILUKXISGTMSI-UHFFFAOYSA-N
Molecular Weight 350.367 g/mol
SMILES Oc1c(c(c(c(c1C(=O)OC)COC(C(C)(C)C)=O)C=O)O)CC=C
SPLASH splash10-052b-4090000000-4660a7939bfd3b8552db
Source of Spectrum SK-31-1378-12
Synonyms 3-Allyl-5-formyl-2,4-dihydroxy-6-(pivaloyloxymethyl)benzoic acid methyl ester Methyl 2-(2,2-dimethylpropanoyloxymethyl)-3-formyl-4,6-dihydroxy-5-prop-2-enylbenzoate Methyl 2-(2,2-dimethylpropanoyloxymethyl)-3-methanoyl-4,6-bis(oxidanyl)-5-prop-2-enyl-benzoate Methyl 5-allyl-2-(2,2-dimethylpropanoyloxymethyl)-3-formyl-4,6-dihydroxy-benzoate
Wiley ID 882025