| SpectraBase Compound ID | CcR5LHzi4kF |
|---|---|
| InChI | InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3 |
| InChIKey | WGXGAUQEMYSVJM-UHFFFAOYSA-N |
| Mol Weight | 237.43 g/mol |
| Molecular Formula | C16H31N |
| Exact Mass | 237.24565 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 19I9XmgDbkj |
|---|---|
| Name | Hexadecanitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.245650002 u |
| Formula | C16H31N |
| InChI | InChI=1S/C16H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-15H2,1H3 |
| InChIKey | WGXGAUQEMYSVJM-UHFFFAOYSA-N |
| Molecular Weight | 237.431 g/mol |
| SMILES | C(#N)CCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.875341 |