![4-[bis(-2-Hydroxyethyl)amino]-2,6-dinitrophenol](/api/spectrum/8Nssc22Shxg/structure.png?h=300&w=458 "4-[bis(-2-Hydroxyethyl)amino]-2,6-dinitrophenol")
| SpectraBase Compound ID | 8mgq7IDCkTd |
|---|---|
| InChI | InChI=1S/C10H13N3O7/c14-3-1-11(2-4-15)7-5-8(12(17)18)10(16)9(6-7)13(19)20/h5-6,14-16H,1-4H2 |
| InChIKey | SHIKCUXUNABILY-UHFFFAOYSA-N |
| Mol Weight | 287.23 g/mol |
| Molecular Formula | C10H13N3O7 |
| Exact Mass | 287.07535 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8Nssc22Shxg |
|---|---|
| Name | 4-[bis(-2-Hydroxyethyl)amino]-2,6-dinitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.075349764 u |
| Formula | C10H13N3O7 |
| InChI | InChI=1S/C10H13N3O7/c14-3-1-11(2-4-15)7-5-8(12(17)18)10(16)9(6-7)13(19)20/h5-6,14-16H,1-4H2 |
| InChIKey | SHIKCUXUNABILY-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC(=CC1N(=O)=O)N(CCO)CCO)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.942333 |