| SpectraBase Compound ID | E1BSBimyk6p |
|---|---|
| InChI | InChI=1S/C12H15Cl/c1-10(2)4-3-5-11-6-8-12(13)9-7-11/h6-9H,1,3-5H2,2H3 |
| InChIKey | MPMAPCMBDJRKHA-UHFFFAOYSA-N |
| Mol Weight | 194.7 g/mol |
| Molecular Formula | C12H15Cl |
| Exact Mass | 194.086228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1c4UGQJKPfU |
|---|---|
| Name | Benzene, 1-chloro-4-(4-methyl-4-pentenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.086228183 u |
| Formula | C12H15Cl |
| InChI | InChI=1S/C12H15Cl/c1-10(2)4-3-5-11-6-8-12(13)9-7-11/h6-9H,1,3-5H2,2H3 |
| InChIKey | MPMAPCMBDJRKHA-UHFFFAOYSA-N |
| Molecular Weight | 194.705 g/mol |
| SMILES | C(CC1=CC=C(C=C1)Cl)CC(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964501 |