SpectraBase Compound ID | ItBlGlhZAiU |
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InChI | InChI=1S/C13H11Cl/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2 |
InChIKey | JEOITUQBDPRYRG-UHFFFAOYSA-N |
Mol Weight | 202.68 g/mol |
Molecular Formula | C13H11Cl |
Exact Mass | 202.054928 g/mol |
SpectraBase Spectrum ID | 8LPPRF2cNM7 |
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Name | 3-Chlorodiphenylmethane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 202.054928054 u |
Formula | C13H11Cl |
InChI | InChI=1S/C13H11Cl/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2 |
InChIKey | JEOITUQBDPRYRG-UHFFFAOYSA-N |
Molecular Weight | 202.684 g/mol |
SMILES | C1=CC(CC2=CC=CC(Cl)=C2)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974003 |