| SpectraBase Compound ID | JYbGdlMAotj |
|---|---|
| InChI | InChI=1S/C9H11NO3/c1-5-7(4-11)6(2)10-8(5)9(12)13-3/h4,10H,1-3H3 |
| InChIKey | GQONSFBVZIROQL-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1m5QIxCoC4 |
|---|---|
| Name | 1H-Pyrrole-2-carboxylic acid, 4-formyl-3,5-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c1-5-7(4-11)6(2)10-8(5)9(12)13-3/h4,10H,1-3H3 |
| InChIKey | GQONSFBVZIROQL-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | COC(C1=C(C(C=O)=C(N1)C)C)=O |