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2-(2-Chlorocycloheptyl)isoindoline-1,3-dione

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

2-(2-Chlorocycloheptyl)isoindoline-1,3-dione
SpectraBase Compound ID Bwo31bNlyg
InChI InChI=1S/C15H16ClNO2/c16-12-8-2-1-3-9-13(12)17-14(18)10-6-4-5-7-11(10)15(17)19/h4-7,12-13H,1-3,8-9H2
InChIKey FNWGIXJGAIWBMW-UHFFFAOYSA-N
Mol Weight 277.75 g/mol
Molecular Formula C15H16ClNO2
Exact Mass 277.086956 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 425EHAiTOnf
Name 2-(2-Chlorocycloheptyl)isoindoline-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.086956457 u
Formula C15H16ClNO2
InChI InChI=1S/C15H16ClNO2/c16-12-8-2-1-3-9-13(12)17-14(18)10-6-4-5-7-11(10)15(17)19/h4-7,12-13H,1-3,8-9H2
InChIKey FNWGIXJGAIWBMW-UHFFFAOYSA-N
SMILES C=1C=C2C(=O)N(C3C(CCCCC3)Cl)C(=O)C2=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928311