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3-{(Ethoxycarbonyl)methyl}-7-methoxyphthalide
SpectraBase Compound ID BZT1Nv3nwmK
InChI InChI=1S/C13H14O5/c1-3-17-11(14)7-10-8-5-4-6-9(16-2)12(8)13(15)18-10/h4-6,10H,3,7H2,1-2H3
InChIKey JSRKACCDNUXYDQ-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID y5LwxnywW7
Name 3-{(Ethoxycarbonyl)methyl}-7-methoxyphthalide
Alternate Name(s) Ethyl 2-(4-methoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-3-17-11(14)7-10-8-5-4-6-9(16-2)12(8)13(15)18-10/h4-6,10H,3,7H2,1-2H3
InChIKey JSRKACCDNUXYDQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 250.250 g/mol
SMILES c1(cccc2c1C(OC2CC(=O)OCC)=O)OC
SPLASH splash10-01t9-0910000000-e45ed11cbb1838809b29
Source of Spectrum A1-13-4153/SMS5-3ca
Wiley ID 1753569