| SpectraBase Compound ID | 5MCVwacAqJm |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-2-7-17-13(16)12(15)10-8-14-11-6-4-3-5-9(10)11/h3-6,8,14H,2,7H2,1H3 |
| InChIKey | YOSOYKRJMWQKGZ-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uekonBCTAI |
|---|---|
| Name | Propyl 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/c1-2-7-17-13(16)12(15)10-8-14-11-6-4-3-5-9(10)11/h3-6,8,14H,2,7H2,1H3 |
| InChIKey | YOSOYKRJMWQKGZ-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C=1(C=2C(NC1)=CC=CC2)C(C(OCCC)=O)=O |