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3-Benzofuranacetic acid, 2-ethyl-4,6-dihydroxy-7-(2-methyl-1-oxobutyl)-, methyl ester
SpectraBase Compound ID 4iQBuMnQ574
InChI InChI=1S/C18H22O6/c1-5-9(3)17(22)16-12(20)8-11(19)15-10(7-14(21)23-4)13(6-2)24-18(15)16/h8-9,19-20H,5-7H2,1-4H3
InChIKey UWQCJNVHOZKZBX-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyyAbRlegQj
Name 3-Benzofuranacetic acid, 2-ethyl-4,6-dihydroxy-7-(2-methyl-1-oxobutyl)-, methyl ester
CAS Registry Number 111249-64-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-5-9(3)17(22)16-12(20)8-11(19)15-10(7-14(21)23-4)13(6-2)24-18(15)16/h8-9,19-20H,5-7H2,1-4H3
InChIKey UWQCJNVHOZKZBX-UHFFFAOYSA-N
Molecular Weight 334.368 g/mol
SMILES Oc1c(c2oc(c(c2c(c1)O)CC(=O)OC)CC)C(=O)C(CC)C
SPLASH splash10-00pi-0094000000-446dc48a8602ef71aad0
Source of Spectrum KC-1987-338-5
Synonyms 2-Ethyl-3-methoxycarbonylmethyl-7-(2-methylbutyryl)-4,6-dihydroxy-benzo[b]furan Methyl[2-ethyl-4,6-dihydroxy-7-(2-methylbutanoyl)-1-benzofuran-3-yl]acetate
Wiley ID 1330883