| SpectraBase Compound ID | 4XeNDG6butW |
|---|---|
| InChI | InChI=1S/C13H27N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3 |
| InChIKey | ZCHSRWMZPZNRNR-UHFFFAOYSA-N |
| Mol Weight | 197.37 g/mol |
| Molecular Formula | C13H27N |
| Exact Mass | 197.21435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1VZKZiyRhY7 |
|---|---|
| Name | N-Propyl-propylhexedrine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.214349873 u |
| Formula | C13H27N |
| InChI | InChI=1S/C13H27N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3 |
| InChIKey | ZCHSRWMZPZNRNR-UHFFFAOYSA-N |
| Molecular Weight | 197.366 g/mol |
| SMILES | C1(CC(N(CCC)C)C)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903858 |