![3-(Acetyloxy)-2-[(acetyloxy)methyl]-2-nitropropyl acetate](/api/spectrum/ESXzFi2iitt/structure.png?h=300&w=458 "3-(Acetyloxy)-2-[(acetyloxy)methyl]-2-nitropropyl acetate")
| SpectraBase Compound ID | BeraG13VsVM |
|---|---|
| InChI | InChI=1S/C10H15NO8/c1-7(12)17-4-10(11(15)16,5-18-8(2)13)6-19-9(3)14/h4-6H2,1-3H3 |
| InChIKey | MESPONKCPLGERO-UHFFFAOYSA-N |
| Mol Weight | 277.23 g/mol |
| Molecular Formula | C10H15NO8 |
| Exact Mass | 277.079766 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ESXzFi2iitt |
|---|---|
| Name | 1,3-Propanediol, 2-hydroxymethyl-2-nitro-, triacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.079766439 u |
| Formula | C10H15NO8 |
| InChI | InChI=1S/C10H15NO8/c1-7(12)17-4-10(11(15)16,5-18-8(2)13)6-19-9(3)14/h4-6H2,1-3H3 |
| InChIKey | MESPONKCPLGERO-UHFFFAOYSA-N |
| SMILES | C(COC(C)=O)(COC(C)=O)(COC(C)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917599 |