SpectraBase Compound ID | KuwaPhGHh3K |
---|---|
InChI | InChI=1S/C14H11Cl2N/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-9H,1H3/b17-9+ |
InChIKey | AVROTAOEEOINMK-RQZCQDPDSA-N |
Mol Weight | 264.15 g/mol |
Molecular Formula | C14H11Cl2N |
Exact Mass | 263.026855 g/mol |
SpectraBase Spectrum ID | 7ZXXqpMhClD |
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Name | 2,4-Dichloro-N-(p-methylbenzylidene)aniline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 263.026854758 u |
Formula | C14H11Cl2N |
InChI | InChI=1S/C14H11Cl2N/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15)8-13(14)16/h2-9H,1H3/b17-9+ |
InChIKey | AVROTAOEEOINMK-RQZCQDPDSA-N |
SMILES | C1=C(C(=CC=C1Cl)\N=C\C=1C=CC(=CC1)C)Cl |
Spectrum/Structure Validation Score (Raman) | 0.828191 |