| SpectraBase Spectrum ID |
50G4n7CkLDk |
| Name |
1-(.alpha.-Butylethyl)-4-phenyl-1-azabuta-1,3-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.167399680 u |
| Formula |
C15H21N |
| InChI |
InChI=1S/C15H21N/c1-3-4-9-14(2)16-13-8-12-15-10-6-5-7-11-15/h5-8,10-14H,3-4,9H2,1-2H3/b12-8+,16-13+ |
| InChIKey |
HZLJGIGUFHXSEQ-UEVLXMDPSA-N |
| Molecular Weight |
215.340 g/mol |
| SMILES |
C1(\C=C\C=N\C(CCCC)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866216 |