![2-Heptene, 6-chloro-4-methyl-, [R*,S*-(E)]-](/api/spectrum/4FHvuSA9Qm9/structure.png?h=300&w=458 "2-Heptene, 6-chloro-4-methyl-, [R*,S*-(E)]-")
| SpectraBase Compound ID | G6011FXVm7y |
|---|---|
| InChI | InChI=1S/C8H15Cl/c1-4-5-7(2)6-8(3)9/h4-5,7-8H,6H2,1-3H3/b5-4+ |
| InChIKey | FXGCJOMZNGUSBS-SNAWJCMRSA-N |
| Mol Weight | 146.66 g/mol |
| Molecular Formula | C8H15Cl |
| Exact Mass | 146.086228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4FHvuSA9Qm9 |
|---|---|
| Name | 2-Heptene, 6-chloro-4-methyl-, [R*,S*-(E)]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.086228183 u |
| Formula | C8H15Cl |
| InChI | InChI=1S/C8H15Cl/c1-4-5-7(2)6-8(3)9/h4-5,7-8H,6H2,1-3H3/b5-4+ |
| InChIKey | FXGCJOMZNGUSBS-SNAWJCMRSA-N |
| Molecular Weight | 146.661 g/mol |
| SMILES | C\C=C\C(CC(Cl)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951972 |