| SpectraBase Spectrum ID |
DLNbtPbWWmz |
| Name |
1-Tert-butyl-4-(3,4-dimethylphenyl)piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.209598845 u |
| Formula |
C16H26N2 |
| InChI |
InChI=1S/C16H26N2/c1-13-6-7-15(12-14(13)2)17-8-10-18(11-9-17)16(3,4)5/h6-7,12H,8-11H2,1-5H3 |
| InChIKey |
QQNVGPVXWDLNCC-UHFFFAOYSA-N |
| Molecular Weight |
246.398 g/mol |
| SMILES |
C(N1CCN(C2=CC(=C(C=C2)C)C)CC1)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93099 |
