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3-{(Ethoxycarbonyl)methyl}-5,7-dimethoxyphthalide
SpectraBase Compound ID 5sA3eWyFMUb
InChI InChI=1S/C14H16O6/c1-4-19-12(15)7-10-9-5-8(17-2)6-11(18-3)13(9)14(16)20-10/h5-6,10H,4,7H2,1-3H3
InChIKey JPFSWUIJQAVFFV-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXGEeVyK8RO
Name 3-{(Ethoxycarbonyl)methyl}-5,7-dimethoxyphthalide
Alternate Name(s) Ethyl 2-(4,6-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O6
InChI InChI=1S/C14H16O6/c1-4-19-12(15)7-10-9-5-8(17-2)6-11(18-3)13(9)14(16)20-10/h5-6,10H,4,7H2,1-3H3
InChIKey JPFSWUIJQAVFFV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 280.276 g/mol
SMILES c1(cc(OC)cc2c1C(=O)OC2CC(=O)OCC)OC
SPLASH splash10-052f-1950000000-0c844697ed91be30308d
Source of Spectrum A1-13-4153/SMS6-3da
Wiley ID 1753572