| SpectraBase Compound ID | 5YlFJEPl0i1 |
|---|---|
| InChI | InChI=1S/C13H12N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-7,14H,8H2,(H,15,16)(H,17,18)/b6-5+ |
| InChIKey | DUIFVCFSAWHIOD-AATRIKPKSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C13H12N2O3 |
| Exact Mass | 244.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkQTPkM4Y2s |
|---|---|
| Name | Indole-3-acryloyl-glycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.084792251 u |
| Formula | C13H12N2O3 |
| InChI | InChI=1S/C13H12N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-7,14H,8H2,(H,15,16)(H,17,18)/b6-5+ |
| InChIKey | DUIFVCFSAWHIOD-AATRIKPKSA-N |
| Molecular Weight | 244.250 g/mol |
| SMILES | C1=CC=CC2=C1C(\C=C\C(NCC(O)=O)=O)=CN2 |