| SpectraBase Compound ID | JsBdynnSwe8 |
|---|---|
| InChI | InChI=1S/C15H19NO3/c1-2-3-4-7-11(17)10-16-14(18)12-8-5-6-9-13(12)15(16)19/h5-6,8-9,11,17H,2-4,7,10H2,1H3 |
| InChIKey | KOQGJEMPSDAEGL-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C15H19NO3 |
| Exact Mass | 261.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4v83VWOKKTN |
|---|---|
| Name | 2-(2-Hydroxyheptyl)isoindole-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.136493473 u |
| Formula | C15H19NO3 |
| InChI | InChI=1S/C15H19NO3/c1-2-3-4-7-11(17)10-16-14(18)12-8-5-6-9-13(12)15(16)19/h5-6,8-9,11,17H,2-4,7,10H2,1H3 |
| InChIKey | KOQGJEMPSDAEGL-UHFFFAOYSA-N |
| Molecular Weight | 261.321 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)CC(O)CCCCC)=O |