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(5R,7R)-Dimethyl spiro[fluorene-9',6-[1,4]-dithiepane-5,7-dicarboxylate]
SpectraBase Compound ID J2F0aaRZcdy
InChI InChI=1S/C21H20O4S2/c1-24-19(22)17-21(18(20(23)25-2)27-12-11-26-17)15-9-5-3-7-13(15)14-8-4-6-10-16(14)21/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1
InChIKey YSPWFRKABRCSJM-ROUUACIJSA-N
Mol Weight 400.51 g/mol
Molecular Formula C21H20O4S2
Exact Mass 400.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0EHlf4uMiI
Name (5R,7R)-Dimethyl spiro[fluorene-9',6-[1,4]-dithiepane-5,7-dicarboxylate]
Alternate Name(s) 2,4-Dimethyl (2R,4R)-spiro[1,5-dithiepane-3,9'-fluorene]-2,4-dicarboxylate Dimethyl spiro[fluorene-9',6-[1,4]-dithiepane-5,7-dicarboxylate]
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Formula C21H20O4S2
InChI InChI=1S/C21H20O4S2/c1-24-19(22)17-21(18(20(23)25-2)27-12-11-26-17)15-9-5-3-7-13(15)14-8-4-6-10-16(14)21/h3-10,17-18H,11-12H2,1-2H3/t17-,18-/m0/s1
InChIKey YSPWFRKABRCSJM-ROUUACIJSA-N
Molecular Weight 400.507 g/mol
SMILES C12(c3c(cccc3)-c3c1cccc3)[C@](C(=O)OC)(SCCS[C@]2(C(=O)OC)[H])[H]
SPLASH splash10-052r-0290000000-3aaf7ec8b01465ee31d9
Source of Spectrum F-62-3616-10
Wiley ID 1633005