| SpectraBase Spectrum ID |
FM3RnhVNKQn |
| Name |
(1S,4'R,5'R)-Spiro[1,5-benzodithiepane-3,2'-[4.5]diethoxycarbonyl[1,3]dioxolane 1-oxide] |
| Alternate Name(s) |
(4'R,5'R)-4',5'-bis(ethoxycarbonyl)-1-oxido-2,4-dihydro-1H-spiro[1,5-benzodithiepine-3,2'-[1,3]dioxolane]-1-ium |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20O7S2 |
| InChI |
InChI=1S/C17H20O7S2/c1-3-21-15(18)13-14(16(19)22-4-2)24-17(23-13)9-25-11-7-5-6-8-12(11)26(20)10-17/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14-,26?/m1/s1 |
| InChIKey |
QYVFBTBPLQQJII-NKSSDZHISA-N |
| Molecular Weight |
400.460 g/mol |
| SMILES |
C1[S+](c2c(SCC11O[C@@](C(=O)OCC)([C@@](O1)(C(=O)OCC)[H])[H])cccc2)[O-] |
| SPLASH |
splash10-0006-0090000000-d6c0e3da67479953f4cb |
| Source of Spectrum |
J-65-3288-4 |
| Wiley ID |
1532253 |
![(1R,4'R,5'R)-Spiro[1,5-benzodithiepane-3,2'-[4.5]diethoxycarbonyl[1,3]dioxolane] 1-oxide](/api/spectrum/FM3RnhVNKQn/structure.png?h=300&w=458 "(1R,4'R,5'R)-Spiro[1,5-benzodithiepane-3,2'-[4.5]diethoxycarbonyl[1,3]dioxolane] 1-oxide")
