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3-{(n-Butoxycarbonyl)methyl}-7-methoxyphthalide
SpectraBase Compound ID 1REgrYySUFf
InChI InChI=1S/C15H18O5/c1-3-4-8-19-13(16)9-12-10-6-5-7-11(18-2)14(10)15(17)20-12/h5-7,12H,3-4,8-9H2,1-2H3
InChIKey QZDUYNQROAKZRD-UHFFFAOYSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QiqCYsnLdp
Name 3-{(n-Butoxycarbonyl)methyl}-7-methoxyphthalide
Alternate Name(s) Butyl 2-(4-methoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-3-4-8-19-13(16)9-12-10-6-5-7-11(18-2)14(10)15(17)20-12/h5-7,12H,3-4,8-9H2,1-2H3
InChIKey QZDUYNQROAKZRD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201563r
Molecular Weight 278.304 g/mol
SMILES c1(cccc2c1C(=O)OC2CC(=O)OCCCC)OC
SPLASH splash10-01t9-1940000000-ba5bc8e528ba32fbcb0e
Source of Spectrum A1-13-4153/SMS5-3cb
Wiley ID 1753570