![Tetrabenzo[a,d,g,j]cyclododecene, 5,10,15,20-tetrahydro-2,3,7,8,12,13,17,18-octamethoxy-](/api/spectrum/6tVr6JFpZft/structure.png?h=300&w=458 "Tetrabenzo[a,d,g,j]cyclododecene, 5,10,15,20-tetrahydro-2,3,7,8,12,13,17,18-octamethoxy-")
| SpectraBase Compound ID | EzJGCcnuD4l |
|---|---|
| InChI | InChI=1S/C36H40O8/c1-37-29-13-21-9-23-15-31(39-3)33(41-5)17-25(23)11-27-19-35(43-7)36(44-8)20-28(27)12-26-18-34(42-6)32(40-4)16-24(26)10-22(21)14-30(29)38-2/h13-20H,9-12H2,1-8H3 |
| InChIKey | MKJGDYCWGYQMQZ-UHFFFAOYSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C36H40O8 |
| Exact Mass | 600.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tVr6JFpZft |
|---|---|
| Name | Tetrabenzo[A,D,G,J]cyclododecene, 5,10,15,20-tetrahydro-2,3,7,8,12,13,17,18-octamethoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 600.272318240 u |
| Formula | C36H40O8 |
| InChI | InChI=1S/C36H40O8/c1-37-29-13-21-9-23-15-31(39-3)33(41-5)17-25(23)11-27-19-35(43-7)36(44-8)20-28(27)12-26-18-34(42-6)32(40-4)16-24(26)10-22(21)14-30(29)38-2/h13-20H,9-12H2,1-8H3 |
| InChIKey | MKJGDYCWGYQMQZ-UHFFFAOYSA-N |
| Molecular Weight | 600.708 g/mol |
| SMILES | COC=1C=C2CC3=CC(=C(C=C3CC3=CC(=C(C=C3CC3=CC(=C(C=C3CC2=CC1OC)OC)OC)OC)OC)OC)OC |