SpectraBase Spectrum ID |
2Q8MUE1ghYB |
Name |
1H-Imidazole, 4,5-dihydro-2-octyl-1-(phenylmethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.225248910 u |
Formula |
C18H28N2 |
InChI |
InChI=1S/C18H28N2/c1-2-3-4-5-6-10-13-18-19-14-15-20(18)16-17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3 |
InChIKey |
FBMFMGINVNOEMM-UHFFFAOYSA-N |
SMILES |
C=1(N(CCN1)CC1=CC=CC=C1)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861045 |