SpectraBase Compound ID | 2FuQBx7DqCf |
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InChI | InChI=1S/C12H19N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h6-8,13H,4-5,9H2,1-3H3 |
InChIKey | UMHATKUMNAUAPM-UHFFFAOYSA-N |
Mol Weight | 177.29 g/mol |
Molecular Formula | C12H19N |
Exact Mass | 177.15175 g/mol |
SpectraBase Spectrum ID | A4vliGAh73i |
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Name | Butyl-(2,6-dimethylphenyl)amine |
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/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h6-8,13H,4-5,9H2,1-3H3 |
InChIKey | UMHATKUMNAUAPM-UHFFFAOYSA-N |
Molecular Weight | 177.291 g/mol |
SMILES | C=1(NCCCC)C(=CC=CC1C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945085 |