| SpectraBase Compound ID | DZdpsW6oaQL |
|---|---|
| InChI | InChI=1S/C19H18O4/c1-3-11(2)10-23-15-9-8-14(20)16-17(15)19(22)13-7-5-4-6-12(13)18(16)21/h4-9,11,20H,3,10H2,1-2H3 |
| InChIKey | UYCLIOWJHMHDRM-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 | CvcbXjZ4uHz |
|---|---|
| Name | Quinizarin, o-(2-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/c1-3-11(2)10-23-15-9-8-14(20)16-17(15)19(22)13-7-5-4-6-12(13)18(16)21/h4-9,11,20H,3,10H2,1-2H3 |
| InChIKey | UYCLIOWJHMHDRM-UHFFFAOYSA-N |
| Molecular Weight | 310.349 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C=1C(C2=O)=C(C=CC1OCC(CC)C)O)=O |