| SpectraBase Spectrum ID |
1frgUdUCxFD |
| Name |
1,4-Dibenzoyl-2,trans-5-diethylpiperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.199428083 u |
| Formula |
C22H26N2O2 |
| InChI |
InChI=1S/C22H26N2O2/c1-3-19-15-24(22(26)18-13-9-6-10-14-18)20(4-2)16-23(19)21(25)17-11-7-5-8-12-17/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20+ |
| InChIKey |
DFLHFFRVERNEOK-BGYRXZFFSA-N |
| Molecular Weight |
350.462 g/mol |
| SMILES |
C1(=CC=CC=C1)C(N1C[C@](N(C(C2=CC=CC=C2)=O)C[C@@]1(CC)[H])(CC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905795 |
