| SpectraBase Compound ID | GxkTqzAhblq |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-10(2)6-7-19-16(18)15-9-13(17)12-8-11(3)4-5-14(12)20-15/h4-5,8-10H,6-7H2,1-3H3 |
| InChIKey | OSFOQWZSQBYSQJ-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 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 | 3TrtrlzTgaS |
|---|---|
| Name | 6-Methyl-4-chromone-2-carboxylic acid, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.120509056 u |
| Formula | C16H18O4 |
| InChI | InChI=1S/C16H18O4/c1-10(2)6-7-19-16(18)15-9-13(17)12-8-11(3)4-5-14(12)20-15/h4-5,8-10H,6-7H2,1-3H3 |
| InChIKey | OSFOQWZSQBYSQJ-UHFFFAOYSA-N |
| SMILES | C1=CC=2OC(C(OCCC(C)C)=O)=CC(C2C=C1C)=O |