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3-(3-oxo-5-phenyl-1,3-dihydroisobenzofuran-1-yl)propanoic acid
SpectraBase Compound ID 7M4luBP78Mf
InChI InChI=1S/C17H14O4/c18-16(19)9-8-15-13-7-6-12(10-14(13)17(20)21-15)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,18,19)
InChIKey SWVSYXOSFKFTMT-UHFFFAOYSA-N
Mol Weight 282.29 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVhUXrJQY84
Name 3-(3-oxo-5-phenyl-1,3-dihydroisobenzofuran-1-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O4
InChI InChI=1S/C17H14O4/c18-16(19)9-8-15-13-7-6-12(10-14(13)17(20)21-15)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,18,19)
InChIKey SWVSYXOSFKFTMT-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC03110A
Molecular Weight 282.295 g/mol
SMILES OC(CCC1OC(c2cc(ccc12)-c1ccccc1)=O)=O
SPLASH splash10-0fl0-0490000000-03df6077da428adc02f9
Source of Spectrum CSS-7-240/SM15-7
Wiley ID 1801140