| SpectraBase Spectrum ID |
Dtdcw52U5vN |
| Name |
N-Allyl-N-benzyl-2-(3,3-dimethylbutyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.229999938 u |
| Formula |
C22H29N |
| InChI |
InChI=1S/C22H29N/c1-5-17-23(18-19-11-7-6-8-12-19)21-14-10-9-13-20(21)15-16-22(2,3)4/h5-14H,1,15-18H2,2-4H3 |
| InChIKey |
XUKLHEVSLUCLHM-UHFFFAOYSA-N |
| Molecular Weight |
307.481 g/mol |
| SMILES |
C=1(N(CC2=CC=CC=C2)CC=C)C(CCC(C)(C)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950801 |
