| SpectraBase Spectrum ID |
Gtikn8XJEJu |
| Name |
2-Benzyl-N-butylaniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.167399680 u |
| Formula |
C17H21N |
| InChI |
InChI=1S/C17H21N/c1-2-3-13-18-17-12-8-7-11-16(17)14-15-9-5-4-6-10-15/h4-12,18H,2-3,13-14H2,1H3 |
| InChIKey |
MFMHXMDZRGLPEL-UHFFFAOYSA-N |
| Molecular Weight |
239.362 g/mol |
| SMILES |
C=1(CC=2C=CC=CC2)C(NCCCC)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917621 |
