![1H-Pyrrole-3-butanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2,4-dimethyl-, methyl ester](/api/spectrum/3dq1FjMFzgc/structure.png?h=300&w=458 "1H-Pyrrole-3-butanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2,4-dimethyl-, methyl ester")
| SpectraBase Compound ID | DYIiubkBHf |
|---|---|
| InChI | InChI=1S/C16H25NO4/c1-10-12(8-7-9-13(18)20-6)11(2)17-14(10)15(19)21-16(3,4)5/h17H,7-9H2,1-6H3 |
| InChIKey | KXNKCUVSKGSISN-UHFFFAOYSA-N |
| Mol Weight | 295.38 g/mol |
| Molecular Formula | C16H25NO4 |
| Exact Mass | 295.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3dq1FjMFzgc |
|---|---|
| Name | 1H-Pyrrole-3-butanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2,4-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.178358285 u |
| Formula | C16H25NO4 |
| InChI | InChI=1S/C16H25NO4/c1-10-12(8-7-9-13(18)20-6)11(2)17-14(10)15(19)21-16(3,4)5/h17H,7-9H2,1-6H3 |
| InChIKey | KXNKCUVSKGSISN-UHFFFAOYSA-N |
| SMILES | C=1(NC(C)=C(C1C)CCCC(=O)OC)C(OC(C)(C)C)=O |