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2-[(E)-4-chloranylbut-2-enyl]isoindole-1,3-dione
SpectraBase Compound ID 1rF2lBAYET9
InChI InChI=1S/C12H10ClNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,7-8H2/b4-3+
InChIKey VSGHWUAHVBTJIU-ONEGZZNKSA-N
Mol Weight 235.67 g/mol
Molecular Formula C12H10ClNO2
Exact Mass 235.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HjhMkr7Hkb
Name 2-[(E)-4-chloranylbut-2-enyl]isoindole-1,3-dione
CAS Registry Number 49705-66-0
Comments Less than 3 mono-isotopic peaks
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Formula C12H10ClNO2
InChI InChI=1S/C12H10ClNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-6H,7-8H2/b4-3+
InChIKey VSGHWUAHVBTJIU-ONEGZZNKSA-N
Molecular Weight 235.670 g/mol
SMILES C1(N(C(c2ccccc12)=O)C\C=C\CCl)=O
SPLASH splash10-0udr-0090000000-5aa6694b70694f8b5b98
Source of Spectrum J-54-3365-22
Synonyms 2-[(E)-4-chlorobut-2-enyl]isoindole-1,3-dione 2-[(E)-4-chlorobut-2-enyl]isoindoline-1,3-dione 2-[(E)-4-chlorobut-2-enyl]isoindoline-1,3-quinone
Wiley ID 1236955