| SpectraBase Compound ID | 7AedU6ruvsQ |
|---|---|
| InChI | InChI=1S/C17H20O4/c1-10(2)7-15-12(4)14-6-5-13(20-9-11(3)18)8-16(14)21-17(15)19/h5-6,8,10H,7,9H2,1-4H3 |
| InChIKey | ATJSJCFRZXOWQG-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C17H20O4 |
| Exact Mass | 288.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51CsxuplS3h |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 4-methyl-3-(2-methylpropyl)-7-(2-oxopropoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.136159120 u |
| Formula | C17H20O4 |
| InChI | InChI=1S/C17H20O4/c1-10(2)7-15-12(4)14-6-5-13(20-9-11(3)18)8-16(14)21-17(15)19/h5-6,8,10H,7,9H2,1-4H3 |
| InChIKey | ATJSJCFRZXOWQG-UHFFFAOYSA-N |
| SMILES | C=1(C(OC2=C(C1C)C=CC(OCC(=O)C)=C2)=O)CC(C)C |