![1H-isoindole-1,3(2H)-dione, 2-[2-(2-propyn-1-yloxy)ethyl]-](/api/spectrum/FXijSOCx2pd/structure.png?h=300&w=458 "1H-isoindole-1,3(2H)-dione, 2-[2-(2-propyn-1-yloxy)ethyl]-")
| SpectraBase Compound ID | LWvOR4U1jZ9 |
|---|---|
| InChI | InChI=1S/C13H11NO3/c1-2-8-17-9-7-14-12(15)10-5-3-4-6-11(10)13(14)16/h1,3-6H,7-9H2 |
| InChIKey | KYGQJMABVPNPEM-UHFFFAOYSA-N |
| Mol Weight | 229.23 g/mol |
| Molecular Formula | C13H11NO3 |
| Exact Mass | 229.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FXijSOCx2pd |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-propyn-1-yloxy)ethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.073893215 u |
| Formula | C13H11NO3 |
| InChI | InChI=1S/C13H11NO3/c1-2-8-17-9-7-14-12(15)10-5-3-4-6-11(10)13(14)16/h1,3-6H,7-9H2 |
| InChIKey | KYGQJMABVPNPEM-UHFFFAOYSA-N |
| Molecular Weight | 229.235 g/mol |
| SMILES | C1(=O)N(CCOCC#C)C(=O)C2=C1C=CC=C2 |