| SpectraBase Spectrum ID |
7vtOhsirEqz |
| Name |
4,4-Dimethyl-2,6-bis(4-methylphenyl)-3,5-dinitropiperidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.184506293 u |
| Formula |
C21H25N3O4 |
| InChI |
InChI=1S/C21H25N3O4/c1-13-5-9-15(10-6-13)17-19(23(25)26)21(3,4)20(24(27)28)18(22-17)16-11-7-14(2)8-12-16/h5-12,17-20,22H,1-4H3 |
| InChIKey |
BOQWUPHUSDEKCJ-UHFFFAOYSA-N |
| Molecular Weight |
383.448 g/mol |
| SMILES |
CC1=CC=C(C=C1)C1NC(C2=CC=C(C=C2)C)C(C(C)(C)C1N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913953 |
