| SpectraBase Spectrum ID |
7BbDOlSCh3n |
| Name |
2,6-bis(4-Chlorophenyl)-4,4-dimethyl-3,5-dinitropiperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.075261500 u |
| Formula |
C19H19Cl2N3O4 |
| InChI |
InChI=1S/C19H19Cl2N3O4/c1-19(2)17(23(25)26)15(11-3-7-13(20)8-4-11)22-16(18(19)24(27)28)12-5-9-14(21)10-6-12/h3-10,15-18,22H,1-2H3 |
| InChIKey |
XLUWPBDJPCVERE-UHFFFAOYSA-N |
| Molecular Weight |
424.284 g/mol |
| SMILES |
C1(C(C(NC(C1N(=O)=O)C1=CC=C(C=C1)Cl)C1=CC=C(C=C1)Cl)N(=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894545 |
