![3-Keto-4-[2-(4-nitrophenyl)ethyl]enanthic acid methyl ester](/api/spectrum/FDXSKA73WbE/structure.png?h=300&w=458 "3-Keto-4-[2-(4-nitrophenyl)ethyl]enanthic acid methyl ester")
| SpectraBase Compound ID | Arsf8UlAkgE |
|---|---|
| InChI | InChI=1S/C16H21NO5/c1-3-4-13(15(18)11-16(19)22-2)8-5-12-6-9-14(10-7-12)17(20)21/h6-7,9-10,13H,3-5,8,11H2,1-2H3 |
| InChIKey | SRTJOMKFGXYEMY-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C16H21NO5 |
| Exact Mass | 307.141973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FDXSKA73WbE |
|---|---|
| Name | 3-Keto-4-[2-(4-nitrophenyl)ethyl]enanthic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.141972775 u |
| Formula | C16H21NO5 |
| InChI | InChI=1S/C16H21NO5/c1-3-4-13(15(18)11-16(19)22-2)8-5-12-6-9-14(10-7-12)17(20)21/h6-7,9-10,13H,3-5,8,11H2,1-2H3 |
| InChIKey | SRTJOMKFGXYEMY-UHFFFAOYSA-N |
| Molecular Weight | 307.346 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(=CC1)CCC(C(CC(=O)OC)=O)CCC |