| SpectraBase Compound ID | 2N1NZ2mXnQR |
|---|---|
| InChI | InChI=1S/C19H26O7/c1-2-17(20)16-3-4-18-19(15-16)26-14-12-24-10-8-22-6-5-21-7-9-23-11-13-25-18/h2-4,15H,1,5-14H2 |
| InChIKey | GFTQASVZKKIMHH-UHFFFAOYSA-N |
| Mol Weight | 366.41 g/mol |
| Molecular Formula | C19H26O7 |
| Exact Mass | 366.167853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPFXGXkULCB |
|---|---|
| Name | 1-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-yl)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.167853170 u |
| Formula | C19H26O7 |
| InChI | InChI=1S/C19H26O7/c1-2-17(20)16-3-4-18-19(15-16)26-14-12-24-10-8-22-6-5-21-7-9-23-11-13-25-18/h2-4,15H,1,5-14H2 |
| InChIKey | GFTQASVZKKIMHH-UHFFFAOYSA-N |
| Molecular Weight | 366.410 g/mol |
| SMILES | C12=CC(C(C=C)=O)=CC=C2OCCOCCOCCOCCOCCO1 |