| SpectraBase Compound ID | 3ppqR15ouoj |
|---|---|
| InChI | InChI=1S/C15H23NO4/c1-9-11(7-8-12(17)19-6)10(2)16-13(9)14(18)20-15(3,4)5/h16H,7-8H2,1-6H3 |
| InChIKey | NTLRHYGHGCUJGW-UHFFFAOYSA-N |
| Mol Weight | 281.35 g/mol |
| Molecular Formula | C15H23NO4 |
| Exact Mass | 281.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Os2FuoB2eQ |
|---|---|
| Name | 4-(3-Keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.162708221 u |
| Formula | C15H23NO4 |
| InChI | InChI=1S/C15H23NO4/c1-9-11(7-8-12(17)19-6)10(2)16-13(9)14(18)20-15(3,4)5/h16H,7-8H2,1-6H3 |
| InChIKey | NTLRHYGHGCUJGW-UHFFFAOYSA-N |
| SMILES | C=1(NC(=C(C1C)CCC(=O)OC)C)C(=O)OC(C)(C)C |