| SpectraBase Compound ID | LtLIVzKtlF1 |
|---|---|
| InChI | InChI=1S/C15H25N/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h6-8,10-11,16H,2-5,9,12-14H2,1H3 |
| InChIKey | ZEFGKRMWGUVWRW-UHFFFAOYSA-N |
| Mol Weight | 219.37 g/mol |
| Molecular Formula | C15H25N |
| Exact Mass | 219.1987 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 975AFbri8s5 |
|---|---|
| Name | N-Heptylphenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.198699809 u |
| Formula | C15H25N |
| InChI | InChI=1S/C15H25N/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h6-8,10-11,16H,2-5,9,12-14H2,1H3 |
| InChIKey | ZEFGKRMWGUVWRW-UHFFFAOYSA-N |
| Molecular Weight | 219.372 g/mol |
| SMILES | C=1(CCNCCCCCCC)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962611 |