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3-{(Ethoxycarbonyl)methyl}-5,7-dimethylphthalide
SpectraBase Compound ID 3gpSrGtVtXv
InChI InChI=1S/C14H16O4/c1-4-17-12(15)7-11-10-6-8(2)5-9(3)13(10)14(16)18-11/h5-6,11H,4,7H2,1-3H3
InChIKey XJQLKANFVWSPBQ-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SxuDbgM7M
Name 3-{(Ethoxycarbonyl)methyl}-5,7-dimethylphthalide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-4-17-12(15)7-11-10-6-8(2)5-9(3)13(10)14(16)18-11/h5-6,11H,4,7H2,1-3H3
InChIKey XJQLKANFVWSPBQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 248.278 g/mol
SMILES c1(C)cc(C)cc2c1C(OC2CC(=O)OCC)=O
SPLASH splash10-022a-0910000000-57164beb80cf8ad05f86
Source of Spectrum A1-13-4153/SMS4-3ba
Synonyms Ethyl 2-(4,6-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
Wiley ID 1753565