| SpectraBase Compound ID | 2A7WrzeQHCA |
|---|---|
| InChI | InChI=1S/C8H13Cl/c1-8(2)6-4-3-5-7-9/h4H,3,5,7H2,1-2H3 |
| InChIKey | LVSGPGLTFSYNMK-UHFFFAOYSA-N |
| Mol Weight | 144.64 g/mol |
| Molecular Formula | C8H13Cl |
| Exact Mass | 144.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 92bR9e9FoKP |
|---|---|
| Name | 2,3-Heptadiene, 7-chloro-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.070578119 u |
| Formula | C8H13Cl |
| InChI | InChI=1S/C8H13Cl/c1-8(2)6-4-3-5-7-9/h4H,3,5,7H2,1-2H3 |
| InChIKey | LVSGPGLTFSYNMK-UHFFFAOYSA-N |
| Molecular Weight | 144.645 g/mol |
| SMILES | C(=C=CCCCCl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963581 |