| SpectraBase Compound ID | H1liyPvcL8Y |
|---|---|
| InChI | InChI=1S/C12H19NO2/c13-8-4-2-1-3-5-10-6-7-11(14)12(15)9-10/h6-7,9,14-15H,1-5,8,13H2 |
| InChIKey | NWIYOMSIPUJBRM-UHFFFAOYSA-N |
| Mol Weight | 209.29 g/mol |
| Molecular Formula | C12H19NO2 |
| Exact Mass | 209.141579 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5bYGPVvohWd |
|---|---|
| Name | (3,4-Dihydroxyphenyl)hexylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.141578854 u |
| Formula | C12H19NO2 |
| InChI | InChI=1S/C12H19NO2/c13-8-4-2-1-3-5-10-6-7-11(14)12(15)9-10/h6-7,9,14-15H,1-5,8,13H2 |
| InChIKey | NWIYOMSIPUJBRM-UHFFFAOYSA-N |
| Molecular Weight | 209.289 g/mol |
| SMILES | C1(=CC(=CC=C1O)CCCCCCN)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960096 |