| SpectraBase Compound ID | EznYkzMIH0S |
|---|---|
| InChI | InChI=1S/C25H31NO2/c1-5-7-8-12-15-24(21-13-10-9-11-14-21)26(18-6-2)20-22-16-17-23(27-3)19-25(22)28-4/h6,9-11,13-14,16-17,19,24H,2,5,7-8,18,20H2,1,3-4H3 |
| InChIKey | WAJZSPRKFGIMIK-UHFFFAOYSA-N |
| Mol Weight | 377.53 g/mol |
| Molecular Formula | C25H31NO2 |
| Exact Mass | 377.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMtfLbzmwju |
|---|---|
| Name | N-Allyl-N-(2,4-dimethoxybenzyl)-1-phenylhept-2-yn-1-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.235479240 u |
| Formula | C25H31NO2 |
| InChI | InChI=1S/C25H31NO2/c1-5-7-8-12-15-24(21-13-10-9-11-14-21)26(18-6-2)20-22-16-17-23(27-3)19-25(22)28-4/h6,9-11,13-14,16-17,19,24H,2,5,7-8,18,20H2,1,3-4H3 |
| InChIKey | WAJZSPRKFGIMIK-UHFFFAOYSA-N |
| Molecular Weight | 377.528 g/mol |
| SMILES | C(C#CCCCC)(N(CC1=C(C=C(C=C1)OC)OC)CC=C)C1=CC=CC=C1 |