| SpectraBase Spectrum ID |
1sTZjW82IC |
| Name |
2-Methyl-N-(3-phenylbutyl)aniline |
| 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/c1-14(16-9-4-3-5-10-16)12-13-18-17-11-7-6-8-15(17)2/h3-11,14,18H,12-13H2,1-2H3 |
| InChIKey |
CZLZGOMQKYYTOV-UHFFFAOYSA-N |
| Molecular Weight |
239.362 g/mol |
| SMILES |
C=1(C(C)=CC=CC1)NCCC(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96614 |
