![(1R,5R)-Spiro[1,5-benzodithiepane-3,10'-[9,11]dioxabicyclo[6.3.0]undeca-4-ene] 1,5-dioxide](/api/spectrum/5F3fHch1G5U/structure.png?h=300&w=458 "(1R,5R)-Spiro[1,5-benzodithiepane-3,10'-[9,11]dioxabicyclo[6.3.0]undeca-4-ene] 1,5-dioxide")
| SpectraBase Compound ID | IldLQJq9z6h |
|---|---|
| InChI | InChI=1S/C17H20O4S2/c18-22-11-17(12-23(19)16-10-6-5-9-15(16)22)20-13-7-3-1-2-4-8-14(13)21-17/h1-2,5-6,9-10,13-14H,3-4,7-8,11-12H2/b2-1-/t13-,14+,17?,22?,23? |
| InChIKey | IJTITVQWNMTZOH-PIEKWCQXSA-N |
| Mol Weight | 352.46 g/mol |
| Molecular Formula | C17H20O4S2 |
| Exact Mass | 352.080301 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5F3fHch1G5U |
|---|---|
| Name | (1R,5R)-Spiro[1,5-benzodithiepane-3,10'-[9,11]dioxabicyclo[6.3.0]undeca-4-ene] 1,5-dioxide |
| Alternate Name(s) | (1R,3'aR,5R,6'Z,9'aS)-spiro[2,4-dihydro-1,5-benzodithiepin-3,2'-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole]1,5-dioxide (1R,3'aR,5R,6'Z,9'aS)-spiro[2,4-dihydro-1,5-benzodithiepine-3,2'-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole]1,5-dioxide (1R,3'aS,5R,9'aR)-3'a,4',5',8',9',9'a,2,4-octahydrospiro[1,5-benzodithiepine-3,2'-cycloocta[d][1,3]dioxole]-1,5-dione (1R,3'aR,5R,6'Z,9'aS)-spiro[2,4-dihydro-1$l^{4},5$l^{4}-benzodithiepine-3,2'-3a,4,5,8,9,9a-hexahydrocycloocta[d][1,3]dioxole] 1,5-dioxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O4S2 |
| InChI | InChI=1S/C17H20O4S2/c18-22-11-17(12-23(19)16-10-6-5-9-15(16)22)20-13-7-3-1-2-4-8-14(13)21-17/h1-2,5-6,9-10,13-14H,3-4,7-8,11-12H2/b2-1-/t13-,14+,17?,22?,23? |
| InChIKey | IJTITVQWNMTZOH-PIEKWCQXSA-N |
| Molecular Weight | 352.463 g/mol |
| SMILES | C12(C[S@](c3ccccc3[S@@](C2)=O)=O)O[C@@]2(CC\C=C/CC[C@@]2(O1)[H])[H] |
| SPLASH | splash10-056r-9703000000-59ba9b9f8231c783c1eb |
| Source of Spectrum | J-65-3289-7 |
| Wiley ID | 1532247 |