| SpectraBase Compound ID | I5tvx7AMRW1 |
|---|---|
| InChI | InChI=1S/C13H13NO4/c15-11(16)7-3-4-8-14-12(17)9-5-1-2-6-10(9)13(14)18/h1-2,5-6H,3-4,7-8H2,(H,15,16) |
| InChIKey | VVYAIXIPOVUMQD-UHFFFAOYSA-N |
| Mol Weight | 247.25 g/mol |
| Molecular Formula | C13H13NO4 |
| Exact Mass | 247.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FyYxty9sCR3 |
|---|---|
| Name | 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.084457899 u |
| Formula | C13H13NO4 |
| InChI | InChI=1S/C13H13NO4/c15-11(16)7-3-4-8-14-12(17)9-5-1-2-6-10(9)13(14)18/h1-2,5-6H,3-4,7-8H2,(H,15,16) |
| InChIKey | VVYAIXIPOVUMQD-UHFFFAOYSA-N |
| Molecular Weight | 247.250 g/mol |
| SMILES | OC(CCCCN1C(C=2C=CC=CC2C1=O)=O)=O |