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n-Butyl 2-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
SpectraBase Compound ID C2cmUpq16M8
InChI InChI=1S/C16H20O6/c1-4-5-8-21-13(17)9-12-10-6-7-11(19-2)15(20-3)14(10)16(18)22-12/h6-7,12H,4-5,8-9H2,1-3H3
InChIKey NXTNJMGGOSJMFS-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 AqklRmRB7e8
Name n-Butyl 2-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
Appearance Colorless oil
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Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-4-5-8-21-13(17)9-12-10-6-7-11(19-2)15(20-3)14(10)16(18)22-12/h6-7,12H,4-5,8-9H2,1-3H3
InChIKey NXTNJMGGOSJMFS-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201803342
Molecular Weight 308.330 g/mol
Quality 16
Reported Formula C16H20O6
SMILES C1(=C(C2=C(C=C1)C(OC2=O)CC(OCCCC)=O)OC)OC
SPLASH splash10-0a4l-0983000000-2eee4b727f4ca7c25123
Source of Spectrum ACI-57-SM13-3oa (DOI: 10.1002/anie.201803342)
Wiley ID 1890985