| SpectraBase Compound ID | K5ODfXbyCjQ |
|---|---|
| InChI | InChI=1S/C12H17Cl/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3 |
| InChIKey | JQFVRQDQQXRLBG-UHFFFAOYSA-N |
| Mol Weight | 196.72 g/mol |
| Molecular Formula | C12H17Cl |
| Exact Mass | 196.101878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7oiUMXA6pES |
|---|---|
| Name | Benzene, 2-chloro-1,3-bis(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.101878247 u |
| Formula | C12H17Cl |
| InChI | InChI=1S/C12H17Cl/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,1-4H3 |
| InChIKey | JQFVRQDQQXRLBG-UHFFFAOYSA-N |
| Molecular Weight | 196.721 g/mol |
| SMILES | CC(C)C1=C(Cl)C(C(C)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93777 |