| SpectraBase Compound ID | JqPSJ2Y3Eys |
|---|---|
| InChI | InChI=1S/C13H19NO/c1-2-3-9-13(15)14-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15) |
| InChIKey | RBPXCUDFQLFKPO-UHFFFAOYSA-N |
| Mol Weight | 205.3 g/mol |
| Molecular Formula | C13H19NO |
| Exact Mass | 205.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IS0YQ4tPEMF |
|---|---|
| Name | Phenethylamine pent |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.146664235 u |
| Formula | C13H19NO |
| InChI | InChI=1S/C13H19NO/c1-2-3-9-13(15)14-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,14,15) |
| InChIKey | RBPXCUDFQLFKPO-UHFFFAOYSA-N |
| Molecular Weight | 205.301 g/mol |
| SMILES | C(NCCC1=CC=CC=C1)(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968856 |