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2-(3-Oxo-1,3-dihydroisobenzofuran-1-ylmethyl)benzoic acid
SpectraBase Compound ID Az9XaAtCU1X
InChI InChI=1S/C16H12O4/c17-15(18)11-6-2-1-5-10(11)9-14-12-7-3-4-8-13(12)16(19)20-14/h1-8,14H,9H2,(H,17,18)
InChIKey QTJSKUCNPMCNDA-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C16H12O4
Exact Mass 268.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mM1oStgoY7
Name 2-(3-Oxo-1,3-dihydroisobenzofuran-1-ylmethyl)benzoic acid
Alternate Name(s) 2-(Phthalidylmethyl)benzoic acid 2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl]benzoic acid 2-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]benzoic acid 2-[(3-oxo-1H-2-benzofuran-1-yl)methyl]benzoic acid 2-[(3-oxo-1H-isobenzofuran-1-yl)methyl]benzoic acid
CAS Registry Number 2975-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O4
InChI InChI=1S/C16H12O4/c17-15(18)11-6-2-1-5-10(11)9-14-12-7-3-4-8-13(12)16(19)20-14/h1-8,14H,9H2,(H,17,18)
InChIKey QTJSKUCNPMCNDA-UHFFFAOYSA-N
Molecular Weight 268.268 g/mol
SMILES OC(c1c(CC2c3ccccc3C(O2)=O)cccc1)=O
SPLASH splash10-001i-9620000000-fe99c53c2946a3f00928
Wiley ID 1480447