| SpectraBase Compound ID | ExHetK9smxU |
|---|---|
| InChI | InChI=1S/C14H15NO3/c1-8(2)7-11-12(14(18)15-13(11)17)9-3-5-10(16)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,15,17,18) |
| InChIKey | BAZBYJXDEUDANE-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C14H15NO3 |
| Exact Mass | 245.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1eNJeypD4Tu |
|---|---|
| Name | 3-(4-Hydroxyphenyl)-4-isobutyl-1H-pyrrole-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.105193344 u |
| Formula | C14H15NO3 |
| InChI | InChI=1S/C14H15NO3/c1-8(2)7-11-12(14(18)15-13(11)17)9-3-5-10(16)6-4-9/h3-6,8,16H,7H2,1-2H3,(H,15,17,18) |
| InChIKey | BAZBYJXDEUDANE-UHFFFAOYSA-N |
| Molecular Weight | 245.278 g/mol |
| SMILES | C1(NC(C(=C1C=1C=CC(=CC1)O)CC(C)C)=O)=O |