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(1S,5S,6S)-6-Iodo-2-methylbicyclo[3.3.0]oct-2-ene
SpectraBase Compound ID 9ZN3uCXdGBx
InChI InChI=1S/C9H13I/c1-6-2-3-8-7(6)4-5-9(8)10/h2,7-9H,3-5H2,1H3/t7-,8+,9+/m1/s1
InChIKey KAWJJFPOSGTRND-VGMNWLOBSA-N
Mol Weight 248.11 g/mol
Molecular Formula C9H13I
Exact Mass 248.006195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeybL6jfzXS
Name (1S,5S,6S)-6-Iodo-2-methylbicyclo[3.3.0]oct-2-ene
Alternate Name(s) (1S,5S,6R/S)-6-Iodo-2-methylbicyclo[3.3.0]oct-2-ene (3S,3aS,6aS)-3-iodo-6-methyl-1,2,3,3a,4,6a-hexahydropentalene
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Formula C9H13I
InChI InChI=1S/C9H13I/c1-6-2-3-8-7(6)4-5-9(8)10/h2,7-9H,3-5H2,1H3/t7-,8+,9+/m1/s1
InChIKey KAWJJFPOSGTRND-VGMNWLOBSA-N
Molecular Weight 248.107 g/mol
SMILES [C@]12([C@](CC=C2C)([C@@](I)(CC1)[H])[H])[H]
SPLASH splash10-00fu-4900000000-b54fb753e5f20f11b4e7
Source of Spectrum E1-46-20-15
Wiley ID 1554184