| SpectraBase Compound ID | 18Wcf2d0xOO |
|---|---|
| InChI | InChI=1S/C9H17Br/c1-8(2)5-4-6-9(3)7-10/h7-8H,4-6H2,1-3H3/b9-7+ |
| InChIKey | SWJODTSIMJTLTE-VQHVLOKHSA-N |
| Mol Weight | 205.14 g/mol |
| Molecular Formula | C9H17Br |
| Exact Mass | 204.051364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 29ROfEgMRPK |
|---|---|
| Name | 1-Heptene, 1-bromo-2,6-dimethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.051363547 u |
| Formula | C9H17Br |
| InChI | InChI=1S/C9H17Br/c1-8(2)5-4-6-9(3)7-10/h7-8H,4-6H2,1-3H3/b9-7+ |
| InChIKey | SWJODTSIMJTLTE-VQHVLOKHSA-N |
| Molecular Weight | 205.139 g/mol |
| SMILES | C(\C(=C\Br)C)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970314 |