| SpectraBase Compound ID | 9exM8Xu61vI |
|---|---|
| InChI | InChI=1S/C13H29N/c1-5-8-10-13(7-3)12-14(4)11-9-6-2/h13H,5-12H2,1-4H3 |
| InChIKey | FXPJQMIJKPNWSW-UHFFFAOYSA-N |
| Mol Weight | 199.38 g/mol |
| Molecular Formula | C13H29N |
| Exact Mass | 199.23 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CygWjTlPFfh |
|---|---|
| Name | N-Butyl-N-methyl-2-ethyl-1-hexanamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.229999938 u |
| Formula | C13H29N |
| InChI | InChI=1S/C13H29N/c1-5-8-10-13(7-3)12-14(4)11-9-6-2/h13H,5-12H2,1-4H3 |
| InChIKey | FXPJQMIJKPNWSW-UHFFFAOYSA-N |
| Molecular Weight | 199.382 g/mol |
| SMILES | C(N(CCCC)C)C(CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924339 |