| SpectraBase Compound ID | XLIMgZf5s6 |
|---|---|
| InChI | InChI=1S/C15H17NO2/c1-12(2)11-18-15(17)14-9-6-10-16(14)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 |
| InChIKey | KASFDIUPXOTOQZ-UHFFFAOYSA-N |
| Mol Weight | 243.31 g/mol |
| Molecular Formula | C15H17NO2 |
| Exact Mass | 243.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sKt2441Clu |
|---|---|
| Name | Isobutyl 1-phenyl-1H-pyrrole-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.125928789 u |
| Formula | C15H17NO2 |
| InChI | InChI=1S/C15H17NO2/c1-12(2)11-18-15(17)14-9-6-10-16(14)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3 |
| InChIKey | KASFDIUPXOTOQZ-UHFFFAOYSA-N |
| Molecular Weight | 243.306 g/mol |
| SMILES | C1=CN(C2=CC=CC=C2)C(C(=O)OCC(C)C)=C1 |