| SpectraBase Compound ID | C5OvhZdMoKN |
|---|---|
| InChI | InChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3 |
| InChIKey | CVGAWKYSRYXQOI-UHFFFAOYSA-N |
| Mol Weight | 140.61 g/mol |
| Molecular Formula | C8H9Cl |
| Exact Mass | 140.039278 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2hGsY2rhOgY |
|---|---|
| Name | 1-Chloro-2-ethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.039277990 u |
| Formula | C8H9Cl |
| InChI | InChI=1S/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3 |
| InChIKey | CVGAWKYSRYXQOI-UHFFFAOYSA-N |
| Molecular Weight | 140.613 g/mol |
| SMILES | C1=C(C(=CC=C1)CC)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.98607 |