| SpectraBase Compound ID | LTcZhruyo3K |
|---|---|
| InChI | InChI=1S/C18H21NO3/c1-2-8-16(13-9-4-3-5-10-13)22-19-17(20)14-11-6-7-12-15(14)18(19)21/h2,6-7,11-13,16H,1,3-5,8-10H2 |
| InChIKey | BFLFWZZDGCWEDU-UHFFFAOYSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C18H21NO3 |
| Exact Mass | 299.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClxqzzjoUtQ |
|---|---|
| Name | 2-(1-Cyclohexylbut-3-enoxy)-isoindoline-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.152143537 u |
| Formula | C18H21NO3 |
| InChI | InChI=1S/C18H21NO3/c1-2-8-16(13-9-4-3-5-10-13)22-19-17(20)14-11-6-7-12-15(14)18(19)21/h2,6-7,11-13,16H,1,3-5,8-10H2 |
| InChIKey | BFLFWZZDGCWEDU-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)C(N(OC(CC=C)C1CCCCC1)C2=O)=O |