| SpectraBase Compound ID | 8wSnc5OXEfq |
|---|---|
| InChI | InChI=1S/C13H21N/c1-3-4-10-14-11-12(2)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3 |
| InChIKey | ZGUSCROIFKOBSN-UHFFFAOYSA-N |
| Mol Weight | 191.32 g/mol |
| Molecular Formula | C13H21N |
| Exact Mass | 191.1674 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1TVyUaLPmMm |
|---|---|
| Name | N-Butyl-beta-methylphenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.167399680 u |
| Formula | C13H21N |
| InChI | InChI=1S/C13H21N/c1-3-4-10-14-11-12(2)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3 |
| InChIKey | ZGUSCROIFKOBSN-UHFFFAOYSA-N |
| Molecular Weight | 191.318 g/mol |
| SMILES | C1(C(CNCCCC)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98396 |