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2-[(E)-3-methyl-4-oxidanyl-but-2-enyl]isoindole-1,3-dione
SpectraBase Compound ID sgGgZ9dFtU
InChI InChI=1S/C13H13NO3/c1-9(8-15)6-7-14-12(16)10-4-2-3-5-11(10)13(14)17/h2-6,15H,7-8H2,1H3/b9-6+
InChIKey IWLNOTCPWIIWIY-RMKNXTFCSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFPoZec4hrB
Name 2-[(E)-3-methyl-4-oxidanyl-but-2-enyl]isoindole-1,3-dione
CAS Registry Number 40156-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-9(8-15)6-7-14-12(16)10-4-2-3-5-11(10)13(14)17/h2-6,15H,7-8H2,1H3/b9-6+
InChIKey IWLNOTCPWIIWIY-RMKNXTFCSA-N
Molecular Weight 231.251 g/mol
SMILES OC\C(=C\CN1C(c2ccccc2C1=O)=O)C
SPLASH splash10-001i-5900000000-df0586bcf094ee6f7bd7
Source of Spectrum SO-0-489-1
Synonyms 2-[(E)-4-hydroxy-3-methyl-but-2-enyl]isoindoline-1,3-dione 2-[(E)-4-hydroxy-3-methyl-but-2-enyl]isoindoline-1,3-quinone 2-[(E)-4-hydroxy-3-methylbut-2-enyl]isoindole-1,3-dione
Wiley ID 1538017