| SpectraBase Compound ID | 5XbCfhB5Km2 |
|---|---|
| InChI | InChI=1S/C12H19N/c1-3-4-8-13-10-12-7-5-6-11(2)9-12/h5-7,9,13H,3-4,8,10H2,1-2H3 |
| InChIKey | WCFIZXRUMMCIQK-UHFFFAOYSA-N |
| Mol Weight | 177.29 g/mol |
| Molecular Formula | C12H19N |
| Exact Mass | 177.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Cl7fd48Sdr |
|---|---|
| Name | N-Butyl-3-methylbenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.151749616 u |
| Formula | C12H19N |
| InChI | InChI=1S/C12H19N/c1-3-4-8-13-10-12-7-5-6-11(2)9-12/h5-7,9,13H,3-4,8,10H2,1-2H3 |
| InChIKey | WCFIZXRUMMCIQK-UHFFFAOYSA-N |
| Molecular Weight | 177.291 g/mol |
| SMILES | C=1(C=C(C=CC1)C)CNCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982324 |