| SpectraBase Compound ID | JRtetmgDL79 |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-2-3-6-11-9-10-7-4-5-8-12(10)15-13(11)14/h4-5,7-9H,2-3,6H2,1H3 |
| InChIKey | ILNZTQHAUGSLGG-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BaMb82gf4XO |
|---|---|
| Name | 3-N-Butyrylcoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-2-3-6-11-9-10-7-4-5-8-12(10)15-13(11)14/h4-5,7-9H,2-3,6H2,1H3 |
| InChIKey | ILNZTQHAUGSLGG-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C12=CC=CC=C2C=C(C(O1)=O)CCCC |