| SpectraBase Compound ID | GrkGXVKhh2M |
|---|---|
| InChI | InChI=1S/C16H10O5/c1-21-16(20)11-7-6-10-12(15(11)19)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,19H,1H3 |
| InChIKey | BJKGQODYLJQOBA-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 | BuTFpNhO9PR |
|---|---|
| Name | Rubiawallin C |
| 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/c1-21-16(20)11-7-6-10-12(15(11)19)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,19H,1H3 |
| InChIKey | BJKGQODYLJQOBA-UHFFFAOYSA-N |
| Molecular Weight | 282.251 g/mol |
| SMILES | C1(=C(C=CC2=C1C(C=1C(C2=O)=CC=CC1)=O)C(=O)OC)O |