| SpectraBase Compound ID | 6C8ONUpuNFT |
|---|---|
| InChI | InChI=1S/C12H12N2O3/c1-13-7-3-5-9(13)11(15)17-12(16)10-6-4-8-14(10)2/h3-8H,1-2H3 |
| InChIKey | FCTYRCLWVGZINC-UHFFFAOYSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVeJFAquJ1N |
|---|---|
| Name | (1-Methylpyrrol-2-yl)carbonyl 1-methylpyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.084792251 u |
| Formula | C12H12N2O3 |
| InChI | InChI=1S/C12H12N2O3/c1-13-7-3-5-9(13)11(15)17-12(16)10-6-4-8-14(10)2/h3-8H,1-2H3 |
| InChIKey | FCTYRCLWVGZINC-UHFFFAOYSA-N |
| Molecular Weight | 232.239 g/mol |
| SMILES | C(C=1N(C=CC1)C)(OC(C=1N(C=CC1)C)=O)=O |