| SpectraBase Compound ID | 3ZSzmp8Kssi |
|---|---|
| InChI | InChI=1S/C8H13NO6/c1-3-15-8(11)6(9(12)13)4-5-7(10)14-2/h6H,3-5H2,1-2H3 |
| InChIKey | NYHLODIWFXPNOT-UHFFFAOYSA-N |
| Mol Weight | 219.19 g/mol |
| Molecular Formula | C8H13NO6 |
| Exact Mass | 219.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gtXGaiiCdC |
|---|---|
| Name | 1-Ethyl 5-methyl 2-nitropentanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.074287137 u |
| Formula | C8H13NO6 |
| InChI | InChI=1S/C8H13NO6/c1-3-15-8(11)6(9(12)13)4-5-7(10)14-2/h6H,3-5H2,1-2H3 |
| InChIKey | NYHLODIWFXPNOT-UHFFFAOYSA-N |
| Molecular Weight | 219.193 g/mol |
| SMILES | C(N(=O)=O)(C(=O)OCC)CCC(=O)OC |