| SpectraBase Compound ID | 2xmH1xPU0X5 |
|---|---|
| InChI | InChI=1S/C15H12O5/c16-10-5-2-1-4-9(10)13(19)8-14(20)15-11(17)6-3-7-12(15)18/h1-7,16-18H,8H2 |
| InChIKey | ZOSBIPVDHRVIPM-UHFFFAOYSA-N |
| Mol Weight | 272.26 g/mol |
| Molecular Formula | C15H12O5 |
| Exact Mass | 272.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ITry0R136d |
|---|---|
| Name | 1,3-Propanedione, 1-(2,6-dihydroxyphenyl)-3-(2-hydroxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.068473481 u |
| Formula | C15H12O5 |
| InChI | InChI=1S/C15H12O5/c16-10-5-2-1-4-9(10)13(19)8-14(20)15-11(17)6-3-7-12(15)18/h1-7,16-18H,8H2 |
| InChIKey | ZOSBIPVDHRVIPM-UHFFFAOYSA-N |
| SMILES | C(C=1C(O)=CC=CC1O)(CC(C=1C(O)=CC=CC1)=O)=O |