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3-{(n-Butoxycarbonyl)methyl}-5,7-dimethoxyphthalide
SpectraBase Compound ID 5hBt1xwU7tY
InChI InChI=1S/C16H20O6/c1-4-5-6-21-14(17)9-12-11-7-10(19-2)8-13(20-3)15(11)16(18)22-12/h7-8,12H,4-6,9H2,1-3H3
InChIKey MFKSESIMFNASPW-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 B45tgtvLMyO
Name 3-{(n-Butoxycarbonyl)methyl}-5,7-dimethoxyphthalide
Alternate Name(s) Butyl 2-(4,6-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-4-5-6-21-14(17)9-12-11-7-10(19-2)8-13(20-3)15(11)16(18)22-12/h7-8,12H,4-6,9H2,1-3H3
InChIKey MFKSESIMFNASPW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 308.330 g/mol
SMILES c1(cc(OC)cc2c1C(OC2CC(=O)OCCCC)=O)OC
SPLASH splash10-052f-1953000000-a73726808c60abe1482a
Source of Spectrum A1-13-4153/SMS7-3db
Wiley ID 1753573