| SpectraBase Compound ID | Hef0zKZOGwN |
|---|---|
| InChI | InChI=1S/C18H22O4/c1-5-6-7-15-12(4)14-9-8-13(21-17(19)11(2)3)10-16(14)22-18(15)20/h8-11H,5-7H2,1-4H3 |
| InChIKey | JQKWHHBLUTZIJL-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 62Urx7Nw3Sn |
|---|---|
| Name | 3-Butyl-7-hydroxy-4-methylcoumarin, isobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.151809184 u |
| Formula | C18H22O4 |
| InChI | InChI=1S/C18H22O4/c1-5-6-7-15-12(4)14-9-8-13(21-17(19)11(2)3)10-16(14)22-18(15)20/h8-11H,5-7H2,1-4H3 |
| InChIKey | JQKWHHBLUTZIJL-UHFFFAOYSA-N |
| SMILES | C=12C=CC(=CC1OC(C(=C2C)CCCC)=O)OC(C(C)C)=O |