| SpectraBase Spectrum ID |
Bv5WiL3I6M7 |
| Name |
Benzyldi(undec-2-ynyl)amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932446 |
