| SpectraBase Spectrum ID |
98zLQYY4Di6 |
| Name |
1-{2-[(o-Chlorophenyl)phenylmethoxy]ethyl}-4-(m-methylbenzyl)piperazine, dihydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.165846790 u |
| Formula |
C27H33Cl3N2O |
| InChI |
InChI=1S/C27H31ClN2O.2ClH/c1-22-8-7-9-23(20-22)21-30-16-14-29(15-17-30)18-19-31-27(24-10-3-2-4-11-24)25-12-5-6-13-26(25)28;;/h2-13,20,27H,14-19,21H2,1H3;2*1H |
| InChIKey |
AQFYNPRBSLIRHZ-UHFFFAOYSA-N |
| Molecular Weight |
507.933 g/mol |
| SMILES |
Cl.Cl.C=1C(=CC=CC1C)CN1CCN(CC1)CCOC(C=1C=CC=CC1Cl)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.949429 |
![1-{2-[(o-Chlorophenyl)phenylmethoxy]ethyl}-4-(m-methylbenzyl)piperazine, dihydrochloride](/api/spectrum/98zLQYY4Di6/structure.png?h=300&w=458 "1-{2-[(o-Chlorophenyl)phenylmethoxy]ethyl}-4-(m-methylbenzyl)piperazine, dihydrochloride")
