| SpectraBase Compound ID | 1XfYSeSWZNe |
|---|---|
| InChI | InChI=1S/C15H18O6/c16-15(17)4-2-12-1-3-13-14(11-12)21-10-8-19-6-5-18-7-9-20-13/h1-4,11H,5-10H2,(H,16,17)/b4-2+ |
| InChIKey | LMAIYESHIPSWSA-DUXPYHPUSA-N |
| Mol Weight | 294.3 g/mol |
| Molecular Formula | C15H18O6 |
| Exact Mass | 294.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ECgbhJItHn0 |
|---|---|
| Name | 3-(6,7,9,10,12,13-Hexahydro-5,8,11,14-tetraoxa-benzocyclododecen-2-yl)-acrylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.110338294 u |
| Formula | C15H18O6 |
| InChI | InChI=1S/C15H18O6/c16-15(17)4-2-12-1-3-13-14(11-12)21-10-8-19-6-5-18-7-9-20-13/h1-4,11H,5-10H2,(H,16,17)/b4-2+ |
| InChIKey | LMAIYESHIPSWSA-DUXPYHPUSA-N |
| SMILES | C1OCCOCCOC2=C(OC1)C=CC(=C2)\C=C\C(O)=O |