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(2S,5R)-5-Ethoxy-2-furan-2-yl-3-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodo-ethoxy)-ethanesulfonyl]-oxazolidine
SpectraBase Compound ID 13qRrdYwbOo
InChI InChI=1S/C13H12F8INO6S/c1-2-26-8-6-23(9(28-8)7-4-3-5-27-7)30(24,25)13(20,21)12(18,19)29-11(16,17)10(14,15)22/h3-5,8-9H,2,6H2,1H3/t8-,9+/m1/s1
InChIKey CISPAQGWJJGDBZ-BDAKNGLRSA-N
Mol Weight 589.19 g/mol
Molecular Formula C13H12F8INO6S
Exact Mass 588.930229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FP2INwlqMx
Name (2S,5R)-5-Ethoxy-2-furan-2-yl-3-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodo-ethoxy)-ethanesulfonyl]-oxazolidine
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Formula C13H12F8INO6S
InChI InChI=1S/C13H12F8INO6S/c1-2-26-8-6-23(9(28-8)7-4-3-5-27-7)30(24,25)13(20,21)12(18,19)29-11(16,17)10(14,15)22/h3-5,8-9H,2,6H2,1H3/t8-,9+/m1/s1
InChIKey CISPAQGWJJGDBZ-BDAKNGLRSA-N
Molecular Weight 589.192 g/mol
SMILES [C@]1(N(S(C(C(OC(C(F)(I)F)(F)F)(F)F)(F)F)(=O)=O)C[C@@](O1)(OCC)[H])(c1occc1)[H]
SPLASH splash10-0a4i-0900000000-017cdc343e93a39a3fae
Source of Spectrum KC-61-6095-8
Synonyms (2S,5R)-5-ethoxy-2-(2-furyl)-3-{[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonyl}-1,3-oxazolidine anti-5-Ethoxy-2-fur-2-yl-3-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonyl]oxazolidine
Wiley ID 1629647