| SpectraBase Compound ID | KJ77fsnhcg2 |
|---|---|
| InChI | InChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)25-22(28)26(20-12-6-17(2)7-13-20)24(30)27(23(25)29)21-14-8-18(3)9-15-21/h4-15H,1-3H3 |
| InChIKey | GEPCRFVQDHGHNE-UHFFFAOYSA-N |
| Mol Weight | 399.45 g/mol |
| Molecular Formula | C24H21N3O3 |
| Exact Mass | 399.158292 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4aiRK12bQHG |
|---|---|
| Name | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-methylphenyl)-; S-triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-p-tolyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.158291545 u |
| Formula | C24H21N3O3 |
| InChI | InChI=1S/C24H21N3O3/c1-16-4-10-19(11-5-16)25-22(28)26(20-12-6-17(2)7-13-20)24(30)27(23(25)29)21-14-8-18(3)9-15-21/h4-15H,1-3H3 |
| InChIKey | GEPCRFVQDHGHNE-UHFFFAOYSA-N |
| Molecular Weight | 399.450 g/mol |
| SMILES | C1(N(C(N(C(N1C1=CC=C(C=C1)C)=O)C1=CC=C(C=C1)C)=O)C1=CC=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.777365 |