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(3-hydroxy-4-methoxycarbonyl-2,5,6-trimethyl-phenyl) 3-formyl-2,4-dihydroxy-5,6-dimethyl-benzoate
SpectraBase Compound ID 9dnoichu1HE
InChI InChI=1S/C21H22O8/c1-8-10(3)16(23)13(7-22)18(25)15(8)21(27)29-19-11(4)9(2)14(20(26)28-6)17(24)12(19)5/h7,23-25H,1-6H3
InChIKey UHFZDRSLNDPMRZ-UHFFFAOYSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnszNWsxhJF
Name (3-hydroxy-4-methoxycarbonyl-2,5,6-trimethyl-phenyl) 3-formyl-2,4-dihydroxy-5,6-dimethyl-benzoate
CAS Registry Number 90685-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-8-10(3)16(23)13(7-22)18(25)15(8)21(27)29-19-11(4)9(2)14(20(26)28-6)17(24)12(19)5/h7,23-25H,1-6H3
InChIKey UHFZDRSLNDPMRZ-UHFFFAOYSA-N
Molecular Weight 402.399 g/mol
SMILES Oc1c(c(OC(c2c(c(c(c(c2O)C=O)O)C)C)=O)c(c(c1C(=O)OC)C)C)C
SPLASH splash10-0fb9-0910000000-4b007c283b6e2946fd6c
Source of Spectrum H-68-1951-12
Synonyms (4-methoxycarbonyl-2,3,6-trimethyl-5-oxidanyl-phenyl) 5-methanoyl-2,3-dimethyl-4,6-bis(oxidanyl)benzoate 3-formyl-2,4-dihydroxy-5,6-dimethyl-benzoic acid (4-carbomethoxy-3-hydroxy-2,5,6-trimethyl-phenyl) ester 3-formyl-2,4-dihydroxy-5,6-dimethylbenzoic acid (3-hydroxy-4-methoxycarbonyl-2,5,6-trimethylphenyl) ester
Wiley ID 1370299