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(+)-(2'S,3aR,6aS)-Tetrahydro-1'-[2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl]spiro[4H-cyclopenta-1,3-dioxole-4,2'-pyrrolidine]-2-thione

View entire compound with spectra: 1 MS (GC)

(+)-(2'S,3aR,6aS)-Tetrahydro-1'-[2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl]spiro[4H-cyclopenta-1,3-dioxole-4,2'-pyrrolidine]-2-thione
SpectraBase Compound ID HL90Q3okVQi
InChI InChI=1S/C18H20INO4S/c19-12-9-15-14(21-10-22-15)8-11(12)3-7-20-6-1-4-18(20)5-2-13-16(18)24-17(25)23-13/h8-9,13,16H,1-7,10H2/t13-,16-,18-/m0/s1
InChIKey BFTZPYPTIFJXRG-OWQGQXMQSA-N
Mol Weight 473.33 g/mol
Molecular Formula C18H20INO4S
Exact Mass 473.015774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jV7K0zlGSW
Name (+)-(2'S,3aR,6aS)-Tetrahydro-1'-[2-(6-Iodo-1,3-benzodioxol-5-yl)ethyl]spiro[4H-cyclopenta-1,3-dioxole-4,2'-pyrrolidine]-2-thione
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Formula C18H20INO4S
InChI InChI=1S/C18H20INO4S/c19-12-9-15-14(21-10-22-15)8-11(12)3-7-20-6-1-4-18(20)5-2-13-16(18)24-17(25)23-13/h8-9,13,16H,1-7,10H2/t13-,16-,18-/m0/s1
InChIKey BFTZPYPTIFJXRG-OWQGQXMQSA-N
Literature Reference DOI 10.1002/hlca.201200486
Molecular Weight 473.325 g/mol
SMILES C1(O[C@@]2([C@](O1)([C@]1(CC2)N(CCC1)CCc1cc2OCOc2cc1I)[H])[H])=S
SPLASH splash10-02ft-4593300000-e62a2e8f289f29da371b
Source of Spectrum H-95-2513-15
Synonyms (3aR,4S,6aS)-1'-(2-(6-iodobenzo[d][1,3]dioxol-5-yl)ethyl)tetrahydrospiro[cyclopenta[d][1,3]dioxole-4,2'-pyrrolidine]-2-thione
Wiley ID 1784277