| SpectraBase Compound ID | HpPKWgxSV2Z |
|---|---|
| InChI | InChI=1S/C10H13Cl/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7H2,1-2H3 |
| InChIKey | KFQBSGANLZRCSZ-UHFFFAOYSA-N |
| Mol Weight | 168.67 g/mol |
| Molecular Formula | C10H13Cl |
| Exact Mass | 168.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 13pKgUkaMJC |
|---|---|
| Name | 2-Chloro-1-tolylpropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.070578119 u |
| Formula | C10H13Cl |
| InChI | InChI=1S/C10H13Cl/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6,9H,7H2,1-2H3 |
| InChIKey | KFQBSGANLZRCSZ-UHFFFAOYSA-N |
| Molecular Weight | 168.667 g/mol |
| SMILES | C1(CC(Cl)C)=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910097 |