| SpectraBase Compound ID | 7YjsNsTastY |
|---|---|
| InChI | InChI=1S/C13H11NO4/c15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,17,18) |
| InChIKey | ZZOFFYJXNMLXEP-UHFFFAOYSA-N |
| Mol Weight | 245.23 g/mol |
| Molecular Formula | C13H11NO4 |
| Exact Mass | 245.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Xi0A0PQ2V2 |
|---|---|
| Name | Benzenepropoanoic acid, .alpha.-(2,5-dioxopyrrolo)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.068807834 u |
| Formula | C13H11NO4 |
| InChI | InChI=1S/C13H11NO4/c15-11-6-7-12(16)14(11)10(13(17)18)8-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,17,18) |
| InChIKey | ZZOFFYJXNMLXEP-UHFFFAOYSA-N |
| Molecular Weight | 245.234 g/mol |
| SMILES | C(=O)(C(CC1=CC=CC=C1)N1C(=O)C=CC1=O)O |