| SpectraBase Spectrum ID |
A1JOgErHxPX |
| Name |
2,4,6-Trioxo-S-triazine-1,3,5(2H,4H,6H)-tripropionic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.080829066 u |
| Formula |
C12H15N3O9 |
| InChI |
InChI=1S/C12H15N3O9/c16-7(17)1-4-13-10(22)14(5-2-8(18)19)12(24)15(11(13)23)6-3-9(20)21/h1-6H2,(H,16,17)(H,18,19)(H,20,21) |
| InChIKey |
HENCHDCLZDQGIQ-UHFFFAOYSA-N |
| Molecular Weight |
345.264 g/mol |
| SMILES |
OC(CCN1C(N(C(N(CCC(=O)O)C1=O)=O)CCC(=O)O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.982744 |
