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(3aR,7R,7aS)-7-chloranyl-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
SpectraBase Compound ID 7PZusnWC9a7
InChI InChI=1S/C16H19ClINO2/c17-12-3-1-2-10-4-5-19(16(10)12)8-11-6-14-15(7-13(11)18)21-9-20-14/h6-7,10,12,16H,1-5,8-9H2/t10-,12-,16+/m1/s1
InChIKey BEPZFAUUVHMOIF-SIVJFFJCSA-N
Mol Weight 419.69 g/mol
Molecular Formula C16H19ClINO2
Exact Mass 419.014902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7JVfk8dBj3
Name (3aR,7R,7aS)-7-chloranyl-1-[(6-iodanyl-1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
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Formula C16H19ClINO2
InChI InChI=1S/C16H19ClINO2/c17-12-3-1-2-10-4-5-19(16(10)12)8-11-6-14-15(7-13(11)18)21-9-20-14/h6-7,10,12,16H,1-5,8-9H2/t10-,12-,16+/m1/s1
InChIKey BEPZFAUUVHMOIF-SIVJFFJCSA-N
Molecular Weight 419.690 g/mol
SMILES C(N1[C@]2([C@@](CCC[C@]2(Cl)[H])([H])CC1)[H])c1c(cc2c(c1)OCO2)I
SPLASH splash10-03di-0193200000-b410822b4850a51d564f
Source of Spectrum U1-1999-1930-16
Synonyms (3aR,7R,7aS)-7-chloro-1-[(6-iodo-1,3-benzodioxol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole
Wiley ID 753067