| SpectraBase Compound ID | AcUhGQ1Hqem |
|---|---|
| InChI | InChI=1S/C16H18ClN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,6,9,12-13H2 |
| InChIKey | BDJQBMFAPBDWMS-UHFFFAOYSA-N |
| Mol Weight | 259.78 g/mol |
| Molecular Formula | C16H18ClN |
| Exact Mass | 259.112777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8ioRXCXywt |
|---|---|
| Name | Phenylpropylamine N-2-chlorobenzyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.112777284 u |
| Formula | C16H18ClN |
| InChI | InChI=1S/C16H18ClN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,6,9,12-13H2 |
| InChIKey | BDJQBMFAPBDWMS-UHFFFAOYSA-N |
| Molecular Weight | 259.780 g/mol |
| SMILES | C1(=C(C=CC=C1)Cl)CNCCCC=1C=CC=CC1 |