| SpectraBase Compound ID | DEWSrE6iThr |
|---|---|
| InChI | InChI=1S/C19H18O4/c1-11(2)9-10-23-15-8-7-14(20)16-17(15)19(22)13-6-4-3-5-12(13)18(16)21/h3-8,11,20H,9-10H2,1-2H3 |
| InChIKey | DXAVYIXIYAHFTD-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C19H18O4 |
| Exact Mass | 310.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XlxdWHBihX |
|---|---|
| Name | Quinizarin, o-(3-methylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.120509056 u |
| Formula | C19H18O4 |
| InChI | InChI=1S/C19H18O4/c1-11(2)9-10-23-15-8-7-14(20)16-17(15)19(22)13-6-4-3-5-12(13)18(16)21/h3-8,11,20H,9-10H2,1-2H3 |
| InChIKey | DXAVYIXIYAHFTD-UHFFFAOYSA-N |
| Molecular Weight | 310.349 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1OCCC(C)C)O)=O |