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N-Benzyl-3-iodo-2-methyl-3-butenamide

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

N-Benzyl-3-iodo-2-methyl-3-butenamide
SpectraBase Compound ID 9m2KVE2rCGC
InChI InChI=1S/C12H14INO/c1-9(10(2)13)12(15)14-8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKey UHXWSUHFIBVWQS-UHFFFAOYSA-N
Mol Weight 315.15 g/mol
Molecular Formula C12H14INO
Exact Mass 315.012009 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Aifh3lvcJZ
Name N-Benzyl-3-iodo-2-methyl-3-butenamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.012009074 u
Formula C12H14INO
InChI InChI=1S/C12H14INO/c1-9(10(2)13)12(15)14-8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H,14,15)
InChIKey UHXWSUHFIBVWQS-UHFFFAOYSA-N
Molecular Weight 315.154 g/mol
SMILES C(C(NCC=1C=CC=CC1)=O)(C(=C)I)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915239