| SpectraBase Compound ID | 6tpuUywFpU6 |
|---|---|
| InChI | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3 |
| InChIKey | GSYMYSYDHKNXFU-UHFFFAOYSA-N |
| Mol Weight | 299.5 g/mol |
| Molecular Formula | C18H37NO2 |
| Exact Mass | 299.282429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GcJ2JWaMNpP |
|---|---|
| Name | 1-Nitrooctadecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.282429433 u |
| Formula | C18H37NO2 |
| InChI | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3 |
| InChIKey | GSYMYSYDHKNXFU-UHFFFAOYSA-N |
| SMILES | C(N(=O)=O)CCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811761 |