| SpectraBase Compound ID | 5dwnuymZE3U |
|---|---|
| InChI | InChI=1S/C22H26O6/c1-26-20-14-6-4-5-7-18(24)19(25)11-13-8-9-17(23)15(10-13)16(12-14)21(27-2)22(20)28-3/h8-10,12,19,23,25H,4-7,11H2,1-3H3/i7D2,25D |
| InChIKey | IFQDEGDKLBEYHN-UXUDIXJRSA-N |
| Mol Weight | 389.46 g/mol |
| Molecular Formula | C22H232D3O6 |
| Exact Mass | 389.191769 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LpDbvqrmNKM |
|---|---|
| Name | Porson-D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H23D3O6 |
| InChI | InChI=1S/C22H26O6/c1-26-20-14-6-4-5-7-18(24)19(25)11-13-8-9-17(23)15(10-13)16(12-14)21(27-2)22(20)28-3/h8-10,12,19,23,25H,4-7,11H2,1-3H3/i7D2,25D |
| InChIKey | IFQDEGDKLBEYHN-UXUDIXJRSA-N |
| Molecular Weight | 389.462 g/mol |
| SMILES | Oc1c2-c3c(c(OC)c(c(c3)CCCC([2D])([2D])C(C(Cc(c2)cc1)O[2D])=O)OC)OC |
| SPLASH | splash10-000i-0019000000-0224158089c255479ec1 |
| Source of Spectrum | F2-43-1676-2 |
| Wiley ID | 1553121 |