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(3aR,4R,6R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodanyl-6a-[(4-methoxyphenoxy)methyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
SpectraBase Compound ID ADr4m3il81F
InChI InChI=1S/C21H31IO5Si/c1-20(2,3)28(5,6)27-17-12-18(22)21(16(17)11-19(23)26-21)13-25-15-9-7-14(24-4)8-10-15/h7-10,16-18H,11-13H2,1-6H3/t16-,17-,18-,21-/m1/s1
InChIKey BRMJFKNMFRWDPQ-NEYJZJCJSA-N
Mol Weight 518.46 g/mol
Molecular Formula C21H31IO5Si
Exact Mass 518.098546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6i0JtWAsHLP
Name (3aR,4R,6R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodanyl-6a-[(4-methoxyphenoxy)methyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
Alternate Name(s) (3aR,4R,6R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodo-6a-[(4-methoxyphenoxy)methyl]-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
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Formula C21H31IO5Si
InChI InChI=1S/C21H31IO5Si/c1-20(2,3)28(5,6)27-17-12-18(22)21(16(17)11-19(23)26-21)13-25-15-9-7-14(24-4)8-10-15/h7-10,16-18H,11-13H2,1-6H3/t16-,17-,18-,21-/m1/s1
InChIKey BRMJFKNMFRWDPQ-NEYJZJCJSA-N
Molecular Weight 518.463 g/mol
SMILES [C@@]12([C@@]([C@](O[Si](C(C)(C)C)(C)C)(C[C@]2(I)[H])[H])(CC(O1)=O)[H])COc1ccc(cc1)OC
SPLASH splash10-02mi-0912240000-7b0ab413d9f486728ae5
Source of Spectrum E1-43-149-12
Wiley ID 1552987