| SpectraBase Compound ID | 18wpQYWFu2D |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,9H,2-3,5,8,12H2,1H3 |
| InChIKey | NEHQMKGFIODIOM-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DscZHbHlDWj |
|---|---|
| Name | 4-(3-Methoxyphenyl)butylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,9H,2-3,5,8,12H2,1H3 |
| InChIKey | NEHQMKGFIODIOM-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | C1=C(C=CC=C1OC)CCCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944646 |