| SpectraBase Compound ID | H6LNyKWgISu |
|---|---|
| InChI | InChI=1S/C13H11NO4/c1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16/h3-6,10H,1H2,2H3,(H,17,18)/t10-/m1/s1 |
| InChIKey | PGHJPLYKFXLXGW-SNVBAGLBSA-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 | DDtvSlb72QE |
|---|---|
| Name | 3-Methyl-2-phthalimidobut-3-enoic acid |
| 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/c1-7(2)10(13(17)18)14-11(15)8-5-3-4-6-9(8)12(14)16/h3-6,10H,1H2,2H3,(H,17,18)/t10-/m1/s1 |
| InChIKey | PGHJPLYKFXLXGW-SNVBAGLBSA-N |
| Molecular Weight | 245.234 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)[C@@](C(=O)O)(C(=C)C)[H])=O |