| SpectraBase Compound ID | DkbjFd6fETl |
|---|---|
| InChI | InChI=1S/C16H18O4/c1-4-5-6-12-9(2)11-7-8-13(18)14(10(3)17)15(11)20-16(12)19/h7-8,18H,4-6H2,1-3H3 |
| InChIKey | BCGTVGPZQVAWQP-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C16H18O4 |
| Exact Mass | 274.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DREODQuteK |
|---|---|
| Name | 8-Acetyl-3-butyl-7-hydroxy-4-methylcoumarin |
| 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/c1-4-5-6-12-9(2)11-7-8-13(18)14(10(3)17)15(11)20-16(12)19/h7-8,18H,4-6H2,1-3H3 |
| InChIKey | BCGTVGPZQVAWQP-UHFFFAOYSA-N |
| SMILES | OC=1C=CC=2C(=C(C(OC2C1C(=O)C)=O)CCCC)C |