| SpectraBase Compound ID | EdTbGupTXl2 |
|---|---|
| InChI | InChI=1S/C16H19NO6/c1-2-3-4-5-11-22-15(18)9-10-16(19)23-14-8-6-7-13(12-14)17(20)21/h6-10,12H,2-5,11H2,1H3/b10-9+ |
| InChIKey | UIOWUROIBOULOM-MDZDMXLPSA-N |
| Mol Weight | 321.33 g/mol |
| Molecular Formula | C16H19NO6 |
| Exact Mass | 321.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXIT0xJl2Px |
|---|---|
| Name | Fumaric acid, hexyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.121237330 u |
| Formula | C16H19NO6 |
| InChI | InChI=1S/C16H19NO6/c1-2-3-4-5-11-22-15(18)9-10-16(19)23-14-8-6-7-13(12-14)17(20)21/h6-10,12H,2-5,11H2,1H3/b10-9+ |
| InChIKey | UIOWUROIBOULOM-MDZDMXLPSA-N |
| Molecular Weight | 321.329 g/mol |
| SMILES | C1=CC=C(OC(\C=C\C(OCCCCCC)=O)=O)C=C1N(=O)=O |