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1,3-Isochromandione
SpectraBase Compound ID H9ob12grXkf
InChI InChI=1S/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2
InChIKey AKHSBAVQPIRVAG-UHFFFAOYSA-N
Mol Weight 162.14 g/mol
Molecular Formula C9H6O3
Exact Mass 162.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtWjDaw61AU
Name isochroman-1,3-dione
Alternate Name(s) 3,4-Dihydro-1H-2-benzopyran-1,3-dione isochromane-1,3-dione 4H-isochromene-1,3-dione
CAS Registry Number 703-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O3
InChI InChI=1S/C9H6O3/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-4H,5H2
InChIKey AKHSBAVQPIRVAG-UHFFFAOYSA-N
Molecular Weight 162.144 g/mol
SMILES C1(=O)Cc2ccccc2C(=O)O1
SPLASH splash10-02tl-9400000000-4bc221bf87e520a3c29e
Source of Spectrum JX-2012-171
Wiley ID 1660618