| SpectraBase Compound ID | H0mTlahEJI7 |
|---|---|
| InChI | InChI=1S/C5H11NO4/c1-2-5(3-7,4-8)6(9)10/h7-8H,2-4H2,1H3 |
| InChIKey | YADISKICBOYXFS-UHFFFAOYSA-N |
| Mol Weight | 149.15 g/mol |
| Molecular Formula | C5H11NO4 |
| Exact Mass | 149.068808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H4S1uUJ8hnz |
|---|---|
| Name | 2-Ethyl-2-nitro-1,3-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.068807834 u |
| Formula | C5H11NO4 |
| InChI | InChI=1S/C5H11NO4/c1-2-5(3-7,4-8)6(9)10/h7-8H,2-4H2,1H3 |
| InChIKey | YADISKICBOYXFS-UHFFFAOYSA-N |
| SMILES | OCC(CO)(N(=O)=O)CC |
| Spectrum/Structure Validation Score (Raman) | 0.764635 |