| SpectraBase Compound ID | CPS3FZkYagH |
|---|---|
| InChI | InChI=1S/C22H39N/c1-3-5-7-9-14-19-23(20-15-10-8-6-4-2)21-18-22-16-12-11-13-17-22/h11-13,16-17H,3-10,14-15,18-21H2,1-2H3 |
| InChIKey | VSKYRJACWVCLGF-UHFFFAOYSA-N |
| Mol Weight | 317.6 g/mol |
| Molecular Formula | C22H39N |
| Exact Mass | 317.30825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9JbKGmAHAL |
|---|---|
| Name | 2-Phenylethylamine, N,N-diheptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.308250260 u |
| Formula | C22H39N |
| InChI | InChI=1S/C22H39N/c1-3-5-7-9-14-19-23(20-15-10-8-6-4-2)21-18-22-16-12-11-13-17-22/h11-13,16-17H,3-10,14-15,18-21H2,1-2H3 |
| InChIKey | VSKYRJACWVCLGF-UHFFFAOYSA-N |
| Molecular Weight | 317.561 g/mol |
| SMILES | C1=CC=C(C=C1)CCN(CCCCCCC)CCCCCCC |