| SpectraBase Compound ID | 9IEzTjiGsJR |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-8(2)17-13(16)12(15)10-7-14-11-6-4-3-5-9(10)11/h3-8,14H,1-2H3 |
| InChIKey | QVKZPQKGMHPALI-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 | JZcjkUDfDT0 |
|---|---|
| Name | Isopropyl indol-3-yl-glyoxalate |
| 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/c1-8(2)17-13(16)12(15)10-7-14-11-6-4-3-5-9(10)11/h3-8,14H,1-2H3 |
| InChIKey | QVKZPQKGMHPALI-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C=12C(C(C(OC(C)C)=O)=O)=CNC2=CC=CC1 |