| SpectraBase Compound ID | FyhR4nyLBAb |
|---|---|
| InChI | InChI=1S/C9H11Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | SXVRSCIZJBGJGB-UHFFFAOYSA-N |
| Mol Weight | 154.64 g/mol |
| Molecular Formula | C9H11Cl |
| Exact Mass | 154.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LqZ3CNujkk7 |
|---|---|
| Name | Benzene, (2-chloro-1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.054928054 u |
| Formula | C9H11Cl |
| InChI | InChI=1S/C9H11Cl/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
| InChIKey | SXVRSCIZJBGJGB-UHFFFAOYSA-N |
| Molecular Weight | 154.640 g/mol |
| SMILES | C(C(C)C1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98307 |