| SpectraBase Compound ID | 9otEtm40XNt |
|---|---|
| InChI | InChI=1S/C13H16O6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2,(H,14,15) |
| InChIKey | IUNXJXMCLUDRQB-UHFFFAOYSA-N |
| Mol Weight | 268.26 g/mol |
| Molecular Formula | C13H16O6 |
| Exact Mass | 268.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CArcLxQe8xr |
|---|---|
| Name | 6,7,9,10,12,13-Hexahydro-5,8,11,14-tetraoxa-benzocyclododecene-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.094688229 u |
| Formula | C13H16O6 |
| InChI | InChI=1S/C13H16O6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2,(H,14,15) |
| InChIKey | IUNXJXMCLUDRQB-UHFFFAOYSA-N |
| SMILES | C(C1=CC=2OCCOCCOCCOC2C=C1)(=O)O |