| SpectraBase Compound ID | A0wy2OXu0nu |
|---|---|
| InChI | InChI=1S/C14H21NO3/c1-6-18-14(17)13-9(4)12(10(5)15-13)11(16)7-8(2)3/h8,15H,6-7H2,1-5H3 |
| InChIKey | FOHVZZUTSSEVEO-UHFFFAOYSA-N |
| Mol Weight | 251.33 g/mol |
| Molecular Formula | C14H21NO3 |
| Exact Mass | 251.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TSnFsZ5ops |
|---|---|
| Name | Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(3-methyl-1-oxobutyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.152143537 u |
| Formula | C14H21NO3 |
| InChI | InChI=1S/C14H21NO3/c1-6-18-14(17)13-9(4)12(10(5)15-13)11(16)7-8(2)3/h8,15H,6-7H2,1-5H3 |
| InChIKey | FOHVZZUTSSEVEO-UHFFFAOYSA-N |
| Molecular Weight | 251.326 g/mol |
| SMILES | C=1(C(=C(C(=O)OCC)NC1C)C)C(CC(C)C)=O |