| SpectraBase Compound ID | HD8aq6Ds1gl |
|---|---|
| InChI | InChI=1S/C16H19N/c1-14-7-5-6-10-16(14)13-17-12-11-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3 |
| InChIKey | BCHLSQHLMJWDMH-UHFFFAOYSA-N |
| Mol Weight | 225.33 g/mol |
| Molecular Formula | C16H19N |
| Exact Mass | 225.15175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmQvXflWmMZ |
|---|---|
| Name | Phenethylamine 2-methylbenzyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.151749616 u |
| Formula | C16H19N |
| InChI | InChI=1S/C16H19N/c1-14-7-5-6-10-16(14)13-17-12-11-15-8-3-2-4-9-15/h2-10,17H,11-13H2,1H3 |
| InChIKey | BCHLSQHLMJWDMH-UHFFFAOYSA-N |
| Molecular Weight | 225.335 g/mol |
| SMILES | C1(=C(C=CC=C1)C)CNCCC1=CC=CC=C1 |