| SpectraBase Compound ID | DRHwoLFEHZ4 |
|---|---|
| InChI | InChI=1S/C18H16O4/c1-3-10(2)22-14-9-8-13(19)15-16(14)18(21)12-7-5-4-6-11(12)17(15)20/h4-10,19H,3H2,1-2H3 |
| InChIKey | PLUMGTNQZLFJHQ-UHFFFAOYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C18H16O4 |
| Exact Mass | 296.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97dSvcaKthf |
|---|---|
| Name | Quinizarin, o-(2-butyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.104858991 u |
| Formula | C18H16O4 |
| InChI | InChI=1S/C18H16O4/c1-3-10(2)22-14-9-8-13(19)15-16(14)18(21)12-7-5-4-6-11(12)17(15)20/h4-10,19H,3H2,1-2H3 |
| InChIKey | PLUMGTNQZLFJHQ-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1OC(CC)C)O)=O |