| SpectraBase Compound ID | 560TiY7rPgC |
|---|---|
| InChI | InChI=1S/C12H13ClN2O6/c1-2-9(13)3-4-21-12(16)8-5-10(14(17)18)7-11(6-8)15(19)20/h5-7,9H,2-4H2,1H3 |
| InChIKey | HCYGKLFWGDRNFC-UHFFFAOYSA-N |
| Mol Weight | 316.7 g/mol |
| Molecular Formula | C12H13ClN2O6 |
| Exact Mass | 316.046214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhgpTkqG2d7 |
|---|---|
| Name | 3-Chloro-1-pentanol, 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.046213841 u |
| Formula | C12H13ClN2O6 |
| InChI | InChI=1S/C12H13ClN2O6/c1-2-9(13)3-4-21-12(16)8-5-10(14(17)18)7-11(6-8)15(19)20/h5-7,9H,2-4H2,1H3 |
| InChIKey | HCYGKLFWGDRNFC-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC(=CC(=C1)N(=O)=O)C(OCCC(CC)Cl)=O |