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N-n-butyl-3-iodo-3-octenamide

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N-n-butyl-3-iodo-3-octenamide
SpectraBase Compound ID 61zWSMPUVhw
InChI InChI=1S/C12H22INO/c1-3-5-7-8-11(13)10-12(15)14-9-6-4-2/h8H,3-7,9-10H2,1-2H3,(H,14,15)/b11-8-
InChIKey AHCKHSPJTKWKST-FLIBITNWSA-N
Mol Weight 323.22 g/mol
Molecular Formula C12H22INO
Exact Mass 323.074609 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7SfHQy5cRU3
Name N-N-Butyl-3-iodo-3-octenamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.074609331 u
Formula C12H22INO
InChI InChI=1S/C12H22INO/c1-3-5-7-8-11(13)10-12(15)14-9-6-4-2/h8H,3-7,9-10H2,1-2H3,(H,14,15)/b11-8-
InChIKey AHCKHSPJTKWKST-FLIBITNWSA-N
Molecular Weight 323.218 g/mol
SMILES C(\C=C\(I)CC(NCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975696