| SpectraBase Compound ID | 9EIZyxnBaBg |
|---|---|
| InChI | InChI=1S/C15H28BrN/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h1-14H2 |
| InChIKey | PKSWNXGEXDIGRH-UHFFFAOYSA-N |
| Mol Weight | 302.3 g/mol |
| Molecular Formula | C15H28BrN |
| Exact Mass | 301.140513 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AX59h4oMboS |
|---|---|
| Name | Pentadecanenitrile, 15-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.140512906 u |
| Formula | C15H28BrN |
| InChI | InChI=1S/C15H28BrN/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h1-14H2 |
| InChIKey | PKSWNXGEXDIGRH-UHFFFAOYSA-N |
| SMILES | C(Br)CCCCCCCCCCCCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911731 |