| SpectraBase Compound ID | qj5LsCMAO3 |
|---|---|
| InChI | InChI=1S/C16H31Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h14H,3-13,15H2,1-2H3/b16-14- |
| InChIKey | LKEXDKKHKNXGSM-PEZBUJJGSA-N |
| Mol Weight | 303.33 g/mol |
| Molecular Formula | C16H31Br |
| Exact Mass | 302.160914 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5faVyGJATMX |
|---|---|
| Name | Pentadec-7-ene, 7-bromomethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.160913998 u |
| Formula | C16H31Br |
| InChI | InChI=1S/C16H31Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h14H,3-13,15H2,1-2H3/b16-14- |
| InChIKey | LKEXDKKHKNXGSM-PEZBUJJGSA-N |
| Molecular Weight | 303.328 g/mol |
| SMILES | C(CCCC)C\C(=C\CCCCCCC)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942216 |