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Benzylamine, N-(3-chloro-2,2-dimethyl-1-propylidene)-.alpha.-methyl-

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

Benzylamine, N-(3-chloro-2,2-dimethyl-1-propylidene)-.alpha.-methyl-
SpectraBase Compound ID BihwaXo7n9F
InChI InChI=1S/C13H18ClN/c1-11(12-7-5-4-6-8-12)15-10-13(2,3)9-14/h4-8,10-11H,9H2,1-3H3/b15-10+
InChIKey XCUCEMXBOQVNCM-XNTDXEJSSA-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 4aXcVypTxNI
Name Benzylamine, N-(3-chloro-2,2-dimethyl-1-propylidene)-.alpha.-methyl-
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/c1-11(12-7-5-4-6-8-12)15-10-13(2,3)9-14/h4-8,10-11H,9H2,1-3H3/b15-10+
InChIKey XCUCEMXBOQVNCM-XNTDXEJSSA-N
Molecular Weight 223.747 g/mol
SMILES C1=C(C=CC=C1)C(\N=C\C(CCl)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921368