| SpectraBase Compound ID | 3uwlLo4fmvE |
|---|---|
| InChI | InChI=1S/C14H19NO4/c1-3-10(4-2)13(16)9-14(17)11-6-5-7-12(8-11)15(18)19/h5-8,10,13,16H,3-4,9H2,1-2H3/t13-/m0/s1 |
| InChIKey | NVWLAHXYMYABMC-ZDUSSCGKSA-N |
| Mol Weight | 265.31 g/mol |
| Molecular Formula | C14H19NO4 |
| Exact Mass | 265.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBcu5QmQ40P |
|---|---|
| Name | (S)-3-Hydroxy-4-ethyl-1-(3'-nitrophenyl)-1-hexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.131408092 u |
| Formula | C14H19NO4 |
| InChI | InChI=1S/C14H19NO4/c1-3-10(4-2)13(16)9-14(17)11-6-5-7-12(8-11)15(18)19/h5-8,10,13,16H,3-4,9H2,1-2H3/t13-/m0/s1 |
| InChIKey | NVWLAHXYMYABMC-ZDUSSCGKSA-N |
| Molecular Weight | 265.309 g/mol |
| SMILES | C1(N(=O)=O)=CC(C(C[C@@](C(CC)CC)(O)[H])=O)=CC=C1 |