![4-((5R,5aS,8R,9aR)-5,8-dimethyloctahydrobenzo[d][1,3]dioxepin-2-yl)-2-methoxyphenol](/api/spectrum/4VLJcuTTzYw/structure.png?h=300&w=458 "4-((5R,5aS,8R,9aR)-5,8-dimethyloctahydrobenzo[d][1,3]dioxepin-2-yl)-2-methoxyphenol")
| SpectraBase Compound ID | 6m58Tm7jED3 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-11-4-6-14-12(2)10-21-18(22-16(14)8-11)13-5-7-15(19)17(9-13)20-3/h5,7,9,11-12,14,16,18-19H,4,6,8,10H2,1-3H3/t11-,12+,14+,16-,18?/m1/s1 |
| InChIKey | NYYPTIGTXRRKOY-UHLRMOPESA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4VLJcuTTzYw |
|---|---|
| Name | 4-((5R,5aS,8R,9aR)-5,8-dimethyloctahydrobenzo[d][1,3]dioxepin-2-yl)-2-methoxyphenol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-11-4-6-14-12(2)10-21-18(22-16(14)8-11)13-5-7-15(19)17(9-13)20-3/h5,7,9,11-12,14,16,18-19H,4,6,8,10H2,1-3H3/t11-,12+,14+,16-,18?/m1/s1 |
| InChIKey | NYYPTIGTXRRKOY-UHLRMOPESA-N |
| Literature Reference DOI | 10.1002/ffj.3187 |
| Molecular Weight | 306.402 g/mol |
| SMILES | Oc1c(cc(cc1)C1OC[C@@]([C@]2([C@](O1)(C[C@@](CC2)(C)[H])[H])[H])(C)[H])OC |
| SPLASH | splash10-0udi-5901000000-58d9f4154f3805ae831b |
| Source of Spectrum | FF-29-125-9a |
| Wiley ID | 1775708 |