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2-(3-Bromanyl-4-oxidanylidene-pentyl)isoindole-1,3-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ensoi9GQLQm
Name 2-(3-Bromanyl-4-oxidanylidene-pentyl)isoindole-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.000056247 u
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)C=2C(C1=O)=CC=CC2)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922879