| SpectraBase Compound ID | LaBuAdM3RyA |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-3-6-9(2)17-14-12(15)10-7-4-5-8-11(10)13(14)16/h3-5,7-9H,1,6H2,2H3 |
| InChIKey | WXOCGYUAEUNEIM-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 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 | 8VmYm7mlX68 |
|---|---|
| Name | 2-(1-Methylbut-3-enoxy)isoindoline-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c1-3-6-9(2)17-14-12(15)10-7-4-5-8-11(10)13(14)16/h3-5,7-9H,1,6H2,2H3 |
| InChIKey | WXOCGYUAEUNEIM-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C=1C=C2C(N(C(=O)C2=CC1)OC(CC=C)C)=O |