| SpectraBase Spectrum ID |
KUpDcinHHY7 |
| Name |
1-(2-Methylphenyl)-4-iso-propylpiperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.178298716 u |
| Formula |
C14H22N2 |
| InChI |
InChI=1S/C14H22N2/c1-12(2)15-8-10-16(11-9-15)14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3 |
| InChIKey |
PUQRAXDGUKKANI-UHFFFAOYSA-N |
| Molecular Weight |
218.344 g/mol |
| SMILES |
C=1(N2CCN(CC2)C(C)C)C(=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83666 |