| SpectraBase Spectrum ID |
CcImKdopJ49 |
| Name |
Piperazine, 1,4-dimethyl-2,3-diphenyl-5-(phenylmethyl)-, (2R,3R,5S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.225248910 u |
| Formula |
C25H28N2 |
| InChI |
InChI=1S/C25H28N2/c1-26-19-23(18-20-12-6-3-7-13-20)27(2)25(22-16-10-5-11-17-22)24(26)21-14-8-4-9-15-21/h3-17,23-25H,18-19H2,1-2H3 |
| InChIKey |
LNFPGILHXWGAHH-UHFFFAOYSA-N |
| Molecular Weight |
356.513 g/mol |
| SMILES |
C1(CN(C(C(N1C)C1=CC=CC=C1)C1=CC=CC=C1)C)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895845 |
