| SpectraBase Compound ID | G8a26MgiWtS |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-3-17-12(15)10-7-9(8-13-10)5-4-6-11(14)16-2/h7-8,13H,3-6H2,1-2H3 |
| InChIKey | MFSJVZGDBSJNSL-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vuUbP8VkGy |
|---|---|
| Name | 4-(4-Keto-4-methoxy-butyl)-1H-pyrrole-2-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-3-17-12(15)10-7-9(8-13-10)5-4-6-11(14)16-2/h7-8,13H,3-6H2,1-2H3 |
| InChIKey | MFSJVZGDBSJNSL-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | C=1(NC=C(C1)CCCC(=O)OC)C(=O)OCC |