![Triimidazo[1,5-a:1',5'-c:1'',5''-e][1,3,5]triazine-1,5,9(2H,6H,10H)-trione, hexahydro-3,3,7,7,11,11-hexamethyl-2,6,10-tris(1-methylethyl)-](/api/spectrum/A64AMcfO9P2/structure.png?h=300&w=458 "Triimidazo[1,5-a:1',5'-c:1'',5''-e][1,3,5]triazine-1,5,9(2H,6H,10H)-trione, hexahydro-3,3,7,7,11,11-hexamethyl-2,6,10-tris(1-methylethyl)-")
| SpectraBase Compound ID | 5Dijnt0R6BZ |
|---|---|
| InChI | InChI=1S/C24H42N6O3/c1-13(2)28-19(31)25-16(22(28,7)8)26-18(24(11,12)29(14(3)4)20(26)32)27-17(25)23(9,10)30(15(5)6)21(27)33/h13-18H,1-12H3 |
| InChIKey | DGOSMRPMEWSYQD-UHFFFAOYSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C24H42N6O3 |
| Exact Mass | 462.331839 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A64AMcfO9P2 |
|---|---|
| Name | Triimidazo[1,5-A:1',5'-C:1'',5''-E][1,3,5]triazine-1,5,9(2H,6H,10H)-trione, hexahydro-3,3,7,7,11,11-hexamethyl-2,6,10-tris(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.331839233 u |
| Formula | C24H42N6O3 |
| InChI | InChI=1S/C24H42N6O3/c1-13(2)28-19(31)25-16(22(28,7)8)26-18(24(11,12)29(14(3)4)20(26)32)27-17(25)23(9,10)30(15(5)6)21(27)33/h13-18H,1-12H3 |
| InChIKey | DGOSMRPMEWSYQD-UHFFFAOYSA-N |
| Molecular Weight | 462.639 g/mol |
| SMILES | C12N(C(=O)N(C2(C)C)C(C)C)C2N(C3N1C(=O)N(C3(C)C)C(C)C)C(N(C2(C)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913404 |