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6-Benzofuranacetic acid, 2,3-dihydro-4-hydroxy-5-(methoxycarbonyl)-2,3,3-trimethyl-, methyl ester, (.+-.)-
SpectraBase Compound ID FL4DWMmZHGt
InChI InChI=1S/C16H20O6/c1-8-16(2,3)13-10(22-8)6-9(7-11(17)20-4)12(14(13)18)15(19)21-5/h6,8,18H,7H2,1-5H3
InChIKey HBKWSPRYDUCEQM-UHFFFAOYSA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhtsVm7tkeE
Name 6-Benzofuranacetic acid, 2,3-dihydro-4-hydroxy-5-(methoxycarbonyl)-2,3,3-trimethyl-, methyl ester, (.+-.)-
CAS Registry Number 104875-26-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-8-16(2,3)13-10(22-8)6-9(7-11(17)20-4)12(14(13)18)15(19)21-5/h6,8,18H,7H2,1-5H3
InChIKey HBKWSPRYDUCEQM-UHFFFAOYSA-N
Molecular Weight 308.330 g/mol
SMILES Oc1c(C(=O)OC)c(cc2c1C(C(C)O2)(C)C)CC(=O)OC
SPLASH splash10-03gi-0091000000-82c067236af3dee9e23f
Source of Spectrum J-51-4816-6
Synonyms Methyl 4-hydroxy-6-(2-methoxy-2-oxoethyl)-2,3,3-trimethyl-2,3-dihydro-1-benzofuran-5-carboxylate
Wiley ID 1309654