| SpectraBase Compound ID | Dq4JyPU4u5K |
|---|---|
| InChI | InChI=1S/C29H45N/c1-3-5-7-9-11-13-15-17-22-26-30(28-29-24-20-19-21-25-29)27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25H,3-16,26-28H2,1-2H3 |
| InChIKey | VQXUZYWGTKYHGD-UHFFFAOYSA-N |
| Mol Weight | 407.7 g/mol |
| Molecular Formula | C29H45N |
| Exact Mass | 407.3552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsNQcVOJKZr |
|---|---|
| Name | Benzyldi(undec-2-ynyl)amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.355200453 u |
| Formula | C29H45N |
| InChI | InChI=1S/C29H45N/c1-3-5-7-9-11-13-15-17-22-26-30(28-29-24-20-19-21-25-29)27-23-18-16-14-12-10-8-6-4-2/h19-21,24-25H,3-16,26-28H2,1-2H3 |
| InChIKey | VQXUZYWGTKYHGD-UHFFFAOYSA-N |
| Molecular Weight | 407.686 g/mol |
| SMILES | C(N(CC#CCCCCCCCC)CC=1C=CC=CC1)C#CCCCCCCCC |