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isochroman-1,4-dione

View entire compound with spectra: 1 MS (GC)

isochroman-1,4-dione
SpectraBase Compound ID 1MaSHs12ynb
InChI InChI=1S/C9H6O3/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey FRPUZPKXFMJGKF-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 Gj2oXGxMQhT
Name isochroman-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O3
InChI InChI=1S/C9H6O3/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey FRPUZPKXFMJGKF-UHFFFAOYSA-N
Molecular Weight 162.144 g/mol
SMILES C1(=O)COC(=O)c2ccccc12
SPLASH splash10-0ue9-5900000000-e00753bab59c520d5455
Source of Spectrum JX-2012-168
Synonyms 3,4-Dihydro-1H-2-benzopyran-1,4-dione isochromane-1,4-dione isochromene-1,4-dione
Wiley ID 1660615