| SpectraBase Compound ID | 37tDxe23Mx6 |
|---|---|
| InChI | InChI=1S/C16H33Br/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h16H,3-15H2,1-2H3 |
| InChIKey | QXHZGGZQRNQOKW-UHFFFAOYSA-N |
| Mol Weight | 305.3 g/mol |
| Molecular Formula | C16H33Br |
| Exact Mass | 304.176564 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9BIwzI4A5Xb |
|---|---|
| Name | 5-Bromohexadecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.176564063 u |
| Formula | C16H33Br |
| InChI | InChI=1S/C16H33Br/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2/h16H,3-15H2,1-2H3 |
| InChIKey | QXHZGGZQRNQOKW-UHFFFAOYSA-N |
| Molecular Weight | 305.344 g/mol |
| SMILES | C(Br)(CCCCCCCCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927565 |