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6-(2-Iodobenzyl)cyclohex-2-en-1-one

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

6-(2-Iodobenzyl)cyclohex-2-en-1-one
SpectraBase Compound ID Hd5eEAhWfO4
InChI InChI=1S/C13H13IO/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3-5,7-8,11H,2,6,9H2
InChIKey ASWJCEIBEXFVPL-UHFFFAOYSA-N
Mol Weight 312.15 g/mol
Molecular Formula C13H13IO
Exact Mass 312.00111 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J4zZVwGiSAW
Name 6-(2-Iodobenzyl)cyclohex-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.001110038 u
Formula C13H13IO
InChI InChI=1S/C13H13IO/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1,3-5,7-8,11H,2,6,9H2
InChIKey ASWJCEIBEXFVPL-UHFFFAOYSA-N
Molecular Weight 312.150 g/mol
SMILES C1(C(CC=2C(I)=CC=CC2)CCC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89811