![2,5-Pyrrolidinone, 1-[(3-methylbenzoyl)oxy]-](/api/spectrum/Itb1KcaMNs7/structure.png?h=300&w=458 "2,5-Pyrrolidinone, 1-[(3-methylbenzoyl)oxy]-")
| SpectraBase Compound ID | 8bGA4nfn6Yw |
|---|---|
| InChI | InChI=1S/C12H11NO4/c1-8-3-2-4-9(7-8)12(16)17-13-10(14)5-6-11(13)15/h2-4,7H,5-6H2,1H3 |
| InChIKey | CYUNDFVNNBMIEE-UHFFFAOYSA-N |
| Mol Weight | 233.22 g/mol |
| Molecular Formula | C12H11NO4 |
| Exact Mass | 233.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Itb1KcaMNs7 |
|---|---|
| Name | 2,5-Pyrrolidinone, 1-[(3-methylbenzoyl)oxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.068807834 u |
| Formula | C12H11NO4 |
| InChI | InChI=1S/C12H11NO4/c1-8-3-2-4-9(7-8)12(16)17-13-10(14)5-6-11(13)15/h2-4,7H,5-6H2,1H3 |
| InChIKey | CYUNDFVNNBMIEE-UHFFFAOYSA-N |
| Molecular Weight | 233.223 g/mol |
| SMILES | C1(CCC(N1OC(C1=CC=CC(=C1)C)=O)=O)=O |