| SpectraBase Compound ID | BBu5gVMnroU |
|---|---|
| InChI | InChI=1S/C17H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h12-13H,2-11,14-17H2,1H3/b13-12+ |
| InChIKey | COEMKAIWJDUERX-OUKQBFOZSA-N |
| Mol Weight | 317.4 g/mol |
| Molecular Formula | C17H33Br |
| Exact Mass | 316.176564 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KgZIxjptUbj |
|---|---|
| Name | 5-Heptadecene, 1-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.176564063 u |
| Formula | C17H33Br |
| InChI | InChI=1S/C17H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h12-13H,2-11,14-17H2,1H3/b13-12+ |
| InChIKey | COEMKAIWJDUERX-OUKQBFOZSA-N |
| Molecular Weight | 317.355 g/mol |
| SMILES | C(CC\C=C\CCCCBr)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899006 |