| SpectraBase Spectrum ID |
72YG2Q74Aj7 |
| Name |
para-Chloro cyclopentyl fentanyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.212491325 u |
| Formula |
C25H31ClN2O |
| InChI |
InChI=1S/C25H31ClN2O/c26-22-10-12-23(13-11-22)28(25(29)21-8-4-5-9-21)24-15-18-27(19-16-24)17-14-20-6-2-1-3-7-20/h1-3,6-7,10-13,21,24H,4-5,8-9,14-19H2 |
| InChIKey |
SJMSXMAHJSSXOR-UHFFFAOYSA-N |
| Molecular Weight |
410.989 g/mol |
| SMILES |
C1N(CCC(C1)N(C(=O)C1CCCC1)C=1C=CC(=CC1)Cl)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935081 |
