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N-(2-Chloro-2-ethyl-1-butylidene)benzylamine

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

N-(2-Chloro-2-ethyl-1-butylidene)benzylamine
SpectraBase Compound ID HM369OqMD9r
InChI InChI=1S/C13H18ClN/c1-3-13(14,4-2)11-15-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b15-11+
InChIKey KKDRAMNJMMUYSC-RVDMUPIBSA-N
Mol Weight 223.75 g/mol
Molecular Formula C13H18ClN
Exact Mass 223.112777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BqMuh7otGxH
Name N-(2-Chloro-2-ethyl-1-butylidene)benzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.112777284 u
Formula C13H18ClN
InChI InChI=1S/C13H18ClN/c1-3-13(14,4-2)11-15-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3/b15-11+
InChIKey KKDRAMNJMMUYSC-RVDMUPIBSA-N
Molecular Weight 223.747 g/mol
SMILES C(\C=N\CC1=CC=CC=C1)(Cl)(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873433