| SpectraBase Compound ID | 8j6UCPPAhSL |
|---|---|
| InChI | InChI=1S/C18H25NO6/c1-4-7-10-13-24-16(20)18(5-2,6-3)17(21)25-15-12-9-8-11-14(15)19(22)23/h8-9,11-12H,4-7,10,13H2,1-3H3 |
| InChIKey | FSGBPADWCTZYJJ-UHFFFAOYSA-N |
| Mol Weight | 351.4 g/mol |
| Molecular Formula | C18H25NO6 |
| Exact Mass | 351.168188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FAeP6DIlQ67 |
|---|---|
| Name | Diethylmalonic acid, 2-nitrophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.168187523 u |
| Formula | C18H25NO6 |
| InChI | InChI=1S/C18H25NO6/c1-4-7-10-13-24-16(20)18(5-2,6-3)17(21)25-15-12-9-8-11-14(15)19(22)23/h8-9,11-12H,4-7,10,13H2,1-3H3 |
| InChIKey | FSGBPADWCTZYJJ-UHFFFAOYSA-N |
| Molecular Weight | 351.399 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=C(C=CC=C1)N(=O)=O)=O)CC |