| SpectraBase Compound ID | FQgZm5Kcws3 |
|---|---|
| InChI | InChI=1S/C6H12N4O3/c7-4(11)1-10(2-5(8)12)3-6(9)13/h1-3H2,(H2,7,11)(H2,8,12)(H2,9,13) |
| InChIKey | CVTGEDNIBVTKBJ-UHFFFAOYSA-N |
| Mol Weight | 188.19 g/mol |
| Molecular Formula | C6H12N4O3 |
| Exact Mass | 188.09094 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BqaeJAL5ME5 |
|---|---|
| Name | 2,2',2''-Nitrilotrisacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.090940259 u |
| Formula | C6H12N4O3 |
| InChI | InChI=1S/C6H12N4O3/c7-4(11)1-10(2-5(8)12)3-6(9)13/h1-3H2,(H2,7,11)(H2,8,12)(H2,9,13) |
| InChIKey | CVTGEDNIBVTKBJ-UHFFFAOYSA-N |
| Molecular Weight | 188.187 g/mol |
| SMILES | NC(CN(CC(=O)N)CC(=O)N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.903563 |