| SpectraBase Compound ID | Hf1XeQBGEnq |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-4-5-9-21-13(17)15(2,3)14(18)22-12-8-6-7-11(10-12)16(19)20/h6-8,10H,4-5,9H2,1-3H3 |
| InChIKey | JAEPINGBINLTCR-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C15H19NO6 |
| Exact Mass | 309.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIQ23Nx3nMx |
|---|---|
| Name | Dimethylmalonic acid, butyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.121237330 u |
| Formula | C15H19NO6 |
| InChI | InChI=1S/C15H19NO6/c1-4-5-9-21-13(17)15(2,3)14(18)22-12-8-6-7-11(10-12)16(19)20/h6-8,10H,4-5,9H2,1-3H3 |
| InChIKey | JAEPINGBINLTCR-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | CCCCOC(=O)C(C(OC1=CC(=CC=C1)N(=O)=O)=O)(C)C |