| SpectraBase Compound ID | 6ePhZxXdKUk |
|---|---|
| InChI | InChI=1S/C14H19NO3/c1-10(2)11-6-3-4-7-12(11)15-13(16)8-5-9-14(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | ULJUPROKRIVQKR-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C14H19NO3 |
| Exact Mass | 249.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBdM0iGBXlr |
|---|---|
| Name | 5-(2-Isopropylanilino)-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.136493473 u |
| Formula | C14H19NO3 |
| InChI | InChI=1S/C14H19NO3/c1-10(2)11-6-3-4-7-12(11)15-13(16)8-5-9-14(17)18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,16)(H,17,18) |
| InChIKey | ULJUPROKRIVQKR-UHFFFAOYSA-N |
| Molecular Weight | 249.310 g/mol |
| SMILES | N(C=1C(C(C)C)=CC=CC1)C(CCCC(=O)O)=O |