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n-Butyl 2-(5-methyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
SpectraBase Compound ID 2yIPLjEg0B8
InChI InChI=1S/C15H18O4/c1-3-4-7-18-14(16)9-13-11-6-5-10(2)8-12(11)15(17)19-13/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKey VWSWVMIVUNVPFT-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5t8DM7Kw7IC
Name n-Butyl 2-(5-methyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
Appearance Colorless oil
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Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-3-4-7-18-14(16)9-13-11-6-5-10(2)8-12(11)15(17)19-13/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKey VWSWVMIVUNVPFT-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201803342
Molecular Weight 262.305 g/mol
Quality 35
Reported Formula C15H18O4
SMILES C1(=CC2=C(C=C1)C(OC2=O)CC(OCCCC)=O)C
SPLASH splash10-08fs-0930000000-b15d96ad8a0c2e4832e9
Source of Spectrum ACI-57-SM7-3ea (DOI: 10.1002/anie.201803342)
Wiley ID 1890984