| SpectraBase Compound ID | 76dUx9fI4NJ |
|---|---|
| InChI | InChI=1S/C16H10O5/c1-8(17)21-12-7-6-11(18)13-14(12)16(20)10-5-3-2-4-9(10)15(13)19/h2-7,18H,1H3 |
| InChIKey | WTODJCNVSBJCJT-UHFFFAOYSA-N |
| Mol Weight | 282.25 g/mol |
| Molecular Formula | C16H10O5 |
| Exact Mass | 282.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3MLxlGx71mi |
|---|---|
| Name | Quinizarin, N-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.052823417 u |
| Formula | C16H10O5 |
| InChI | InChI=1S/C16H10O5/c1-8(17)21-12-7-6-11(18)13-14(12)16(20)10-5-3-2-4-9(10)15(13)19/h2-7,18H,1H3 |
| InChIKey | WTODJCNVSBJCJT-UHFFFAOYSA-N |
| Molecular Weight | 282.251 g/mol |
| SMILES | C1(=CC=C(C2=C1C(C=1C(C2=O)=CC=CC1)=O)O)OC(=O)C |