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Benzenemethanamine, 4-chloro-.alpha.-phenyl-

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Benzenemethanamine, 4-chloro-.alpha.-phenyl-
SpectraBase Compound ID 2ZPUYfdyiQc
InChI InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
InChIKey XAFODXGEQUOEKN-UHFFFAOYSA-N
Mol Weight 217.7 g/mol
Molecular Formula C13H12ClN
Exact Mass 217.065827 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GeL68W1Xa04
Name Benzenemethanamine, 4-chloro-.alpha.-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.065827090 u
Formula C13H12ClN
InChI InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2
InChIKey XAFODXGEQUOEKN-UHFFFAOYSA-N
Molecular Weight 217.699 g/mol
SMILES C1=C(C(C2=CC=CC=C2)N)C=CC(=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929006