| SpectraBase Spectrum ID |
IOG8Du719yG |
| Name |
1-(2-Benzylaminoethyl)-4-benzylpiperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.220497881 u |
| Formula |
C20H27N3 |
| InChI |
InChI=1S/C20H27N3/c1-3-7-19(8-4-1)17-21-11-12-22-13-15-23(16-14-22)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2 |
| InChIKey |
JKIDTOZGYQEUIZ-UHFFFAOYSA-N |
| Molecular Weight |
309.457 g/mol |
| SMILES |
C(N1CCN(CC1)CCNCC1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982886 |