| SpectraBase Compound ID | 5xgt2pjxG40 |
|---|---|
| InChI | InChI=1S/C11H17Cl/c1-8-9(2)11(8,12)7-6-10(3,4)5/h8-9H,1-5H3 |
| InChIKey | OWBGBHRTVCPVEE-UHFFFAOYSA-N |
| Mol Weight | 184.71 g/mol |
| Molecular Formula | C11H17Cl |
| Exact Mass | 184.101878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B6UjYiswIRk |
|---|---|
| Name | 1-(1-Chloro-2,3-dimethylcyclopropyl)-3,3-dimethyl-1-butyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.101878247 u |
| Formula | C11H17Cl |
| InChI | InChI=1S/C11H17Cl/c1-8-9(2)11(8,12)7-6-10(3,4)5/h8-9H,1-5H3 |
| InChIKey | OWBGBHRTVCPVEE-UHFFFAOYSA-N |
| Molecular Weight | 184.710 g/mol |
| SMILES | C(C(C)(C)C)#CC1(C(C)C1C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883397 |