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7-Amino-4-bromo-2,3-dihydro-1H-isoindol-1-one, me derivative

View entire compound with spectra: 1 FTIR

7-Amino-4-bromo-2,3-dihydro-1H-isoindol-1-one, me derivative
SpectraBase Compound ID HUmPYtekCfK
InChI InChI=1S/C9H9BrN2O/c1-11-7-3-2-6(10)5-4-12-9(13)8(5)7/h2-3,11H,4H2,1H3,(H,12,13)
InChIKey JNLSGXGPAZKBGJ-UHFFFAOYSA-N
Mol Weight 241.09 g/mol
Molecular Formula C9H9BrN2O
Exact Mass 239.989826 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 59sWpPTtZe0
Name 7-Amino-4-bromo-2,3-dihydro-1H-isoindol-1-one, me derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.989825917 u
Formula C9H9BrN2O
InChI InChI=1S/C9H9BrN2O/c1-11-7-3-2-6(10)5-4-12-9(13)8(5)7/h2-3,11H,4H2,1H3,(H,12,13)
InChIKey JNLSGXGPAZKBGJ-UHFFFAOYSA-N
Molecular Weight 241.088 g/mol
SMILES C1(Br)=C2C(=C(C=C1)NC)C(=O)NC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863922