| SpectraBase Compound ID | 9SsWIsQPIIV |
|---|---|
| InChI | InChI=1S/C14H15NO3/c16-10-6-2-1-5-9-15-13(17)11-7-3-4-8-12(11)14(15)18/h2-4,6-8,16H,1,5,9-10H2/b6-2- |
| InChIKey | HDDFRKVXLAFDGK-KXFIGUGUSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C14H15NO3 |
| Exact Mass | 245.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KugbPEq4y3z |
|---|---|
| Name | 1,3-Isoindolinedione, 2-(6-hydroxy-4-hexenyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.105193344 u |
| Formula | C14H15NO3 |
| InChI | InChI=1S/C14H15NO3/c16-10-6-2-1-5-9-15-13(17)11-7-3-4-8-12(11)14(15)18/h2-4,6-8,16H,1,5,9-10H2/b6-2- |
| InChIKey | HDDFRKVXLAFDGK-KXFIGUGUSA-N |
| Molecular Weight | 245.278 g/mol |
| SMILES | C1(=O)N(CCC\C=C/CO)C(C=2C1=CC=CC2)=O |