| SpectraBase Compound ID | Btxgj5WRnEN |
|---|---|
| InChI | InChI=1S/C28H40O10/c1-3-7-27-25(5-1)35-21-17-31-13-11-29-9-10-30-12-14-32-18-22-36-26-6-2-4-8-28(26)38-24-20-34-16-15-33-19-23-37-27/h1-8H,9-24H2 |
| InChIKey | GLWJYTMHGPSPNN-UHFFFAOYSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C28H40O10 |
| Exact Mass | 536.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F81q4oIYZXq |
|---|---|
| Name | 2,3,20,21-Dibenzo-1,4,7,10,13,16,19,22,25,28-decaoxacyclotriacontan-2,20-diene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 536.262147478 u |
| Formula | C28H40O10 |
| InChI | InChI=1S/C28H40O10/c1-3-7-27-25(5-1)35-21-17-31-13-11-29-9-10-30-12-14-32-18-22-36-26-6-2-4-8-28(26)38-24-20-34-16-15-33-19-23-37-27/h1-8H,9-24H2 |
| InChIKey | GLWJYTMHGPSPNN-UHFFFAOYSA-N |
| Molecular Weight | 536.618 g/mol |
| SMILES | C12=C(OCCOCCOCCOCCOCCOC3=C(OCCOCCOCCO2)C=CC=C3)C=CC=C1 |