SpectraBase Compound ID | GVSrDgLl0HO |
---|---|
InChI | InChI=1S/C13H12ClN/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2 |
InChIKey | PFFRXFWDKDIUNS-UHFFFAOYSA-N |
Mol Weight | 217.7 g/mol |
Molecular Formula | C13H12ClN |
Exact Mass | 217.065827 g/mol |
SpectraBase Spectrum ID | 2ttUx1RnNXJ |
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Name | 2-(2-Chlorobenzyl)phenylamine |
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/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2 |
InChIKey | PFFRXFWDKDIUNS-UHFFFAOYSA-N |
Molecular Weight | 217.699 g/mol |
SMILES | C(C=1C(N)=CC=CC1)C=1C(Cl)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970403 |