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2-(3-bromanyl-4-oxidanylidene-pentyl)isoindole-1,3-dione
SpectraBase Compound ID 4zQBnERl5NQ
InChI InChI=1S/C13H12BrNO3/c1-8(16)11(14)6-7-15-12(17)9-4-2-3-5-10(9)13(15)18/h2-5,11H,6-7H2,1H3
InChIKey IFPPZTSKNBSMHN-UHFFFAOYSA-N
Mol Weight 310.15 g/mol
Molecular Formula C13H12BrNO3
Exact Mass 309.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FFvE4WNqDv
Name 2-(3-bromanyl-4-oxidanylidene-pentyl)isoindole-1,3-dione
CAS Registry Number 112357-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12BrNO3
InChI InChI=1S/C13H12BrNO3/c1-8(16)11(14)6-7-15-12(17)9-4-2-3-5-10(9)13(15)18/h2-5,11H,6-7H2,1H3
InChIKey IFPPZTSKNBSMHN-UHFFFAOYSA-N
Molecular Weight 310.147 g/mol
SMILES CC(C(CCN1C(=O)c2c(C1=O)cccc2)Br)=O
SPLASH splash10-03e9-0920000000-6e3039ff6e17cf50964e
Source of Spectrum E1-35-3245-11
Synonyms 2-(3-bromo-4-keto-pentyl)isoindoline-1,3-quinone 2-(3-bromo-4-oxo-pentyl)isoindoline-1,3-dione 2-(3-bromo-4-oxopentyl)isoindole-1,3-dione
Wiley ID 1574475