| SpectraBase Compound ID | 5m80qdcNKdD |
|---|---|
| InChI | InChI=1S/C17H23NO6/c1-5-17(6-2,15(19)23-11-12(3)4)16(20)24-14-10-8-7-9-13(14)18(21)22/h7-10,12H,5-6,11H2,1-4H3 |
| InChIKey | XOCHEGWGVMLLPF-UHFFFAOYSA-N |
| Mol Weight | 337.37 g/mol |
| Molecular Formula | C17H23NO6 |
| Exact Mass | 337.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cbZgeobyXq |
|---|---|
| Name | Diethylmalonic acid, isobutyl 2-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.152537459 u |
| Formula | C17H23NO6 |
| InChI | InChI=1S/C17H23NO6/c1-5-17(6-2,15(19)23-11-12(3)4)16(20)24-14-10-8-7-9-13(14)18(21)22/h7-10,12H,5-6,11H2,1-4H3 |
| InChIKey | XOCHEGWGVMLLPF-UHFFFAOYSA-N |
| Molecular Weight | 337.372 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1)N(=O)=O)=O)CC |