| SpectraBase Spectrum ID |
9csVzcGmeuD |
| Name |
1-(m-Methylbenzyl)-4-[2-(o-methylbenzhydryloxy)ethyl]piperazine, dihydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.220469186 u |
| Formula |
C28H36Cl2N2O |
| InChI |
InChI=1S/C28H34N2O.2ClH/c1-23-9-8-11-25(21-23)22-30-17-15-29(16-18-30)19-20-31-28(26-12-4-3-5-13-26)27-14-7-6-10-24(27)2;;/h3-14,21,28H,15-20,22H2,1-2H3;2*1H |
| InChIKey |
UFLXJNQWRHZJEJ-UHFFFAOYSA-N |
| Molecular Weight |
487.515 g/mol |
| SMILES |
Cl.CC=1C=C(CN2CCN(CCOC(C=3C=CC=CC3)C=3C=CC=CC3C)CC2)C=CC1.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.964839 |
![1-(m-Methylbenzyl)-4-[2-(o-methylbenzhydryloxy)ethyl]piperazine, dihydrochloride](/api/spectrum/9csVzcGmeuD/structure.png?h=300&w=458 "1-(m-Methylbenzyl)-4-[2-(o-methylbenzhydryloxy)ethyl]piperazine, dihydrochloride")
