| SpectraBase Compound ID | CdunsJfRY0E |
|---|---|
| InChI | InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 |
| InChIKey | ZBCBWPMODOFKDW-UHFFFAOYSA-N |
| Mol Weight | 105.14 g/mol |
| Molecular Formula | C4H11NO2 |
| Exact Mass | 105.078979 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 888NNulG8fQ |
|---|---|
| Name | Diethanolamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 105.078978596 u |
| Formula | C4H11NO2 |
| InChI | InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2 |
| InChIKey | ZBCBWPMODOFKDW-UHFFFAOYSA-N |
| Molecular Weight | 105.137 g/mol |
| SMILES | OCCNCCO |
| Spectrum/Structure Validation Score (Raman) | 0.992588 |