| SpectraBase Compound ID | 18flVG8KbHo |
|---|---|
| InChI | InChI=1S/C16H22O6/c1-11(2)9-19-15(17)21-13-7-5-6-8-14(13)22-16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| InChIKey | NCKNEXUTRGASGF-UHFFFAOYSA-N |
| Mol Weight | 310.35 g/mol |
| Molecular Formula | C16H22O6 |
| Exact Mass | 310.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdtYO6UhPRV |
|---|---|
| Name | 1,2-Benzenediol, o,o'-di(isobutoxycarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.141638422 u |
| Formula | C16H22O6 |
| InChI | InChI=1S/C16H22O6/c1-11(2)9-19-15(17)21-13-7-5-6-8-14(13)22-16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
| InChIKey | NCKNEXUTRGASGF-UHFFFAOYSA-N |
| Molecular Weight | 310.346 g/mol |
| SMILES | CC(C)COC(OC=1C(=CC=CC1)OC(OCC(C)C)=O)=O |