| SpectraBase Compound ID | ElyxJac3OlH |
|---|---|
| InChI | InChI=1S/C17H35N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h16-18H,3-15H2,1-2H3 |
| InChIKey | RUEHPTQZEBKHIQ-UHFFFAOYSA-N |
| Mol Weight | 253.5 g/mol |
| Molecular Formula | C17H35N |
| Exact Mass | 253.27695 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FDkUPBoTSwb |
|---|---|
| Name | 2-Hexyl-5-heptyl-pyrrolidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.276950131 u |
| Formula | C17H35N |
| InChI | InChI=1S/C17H35N/c1-3-5-7-9-11-13-17-15-14-16(18-17)12-10-8-6-4-2/h16-18H,3-15H2,1-2H3 |
| InChIKey | RUEHPTQZEBKHIQ-UHFFFAOYSA-N |
| Molecular Weight | 253.474 g/mol |
| SMILES | C1(NC(CC1)CCCCCCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906879 |