| SpectraBase Spectrum ID |
GAUNOb6aVMW |
| Name |
1-Benzyl-3,3-dichloro-4-(chloromethyl)-2-piperidone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.014097174 u |
| Formula |
C13H14Cl3NO |
| InChI |
InChI=1S/C13H14Cl3NO/c14-8-11-6-7-17(12(18)13(11,15)16)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2 |
| InChIKey |
RLZCISZMQCUMPX-UHFFFAOYSA-N |
| Molecular Weight |
306.620 g/mol |
| SMILES |
C1(C(C(CCl)CCN1CC=1C=CC=CC1)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930592 |
