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(1S,2s,5R,6S)-4-(Acetyloxy)-2,5-dibromo-4-iodo-1-methyl-3-cyclohexenyl Acetate
SpectraBase Compound ID KaWzp1DX3Pr
InChI InChI=1S/C11H13Br2IO4/c1-5(15)17-10-9(13)7(14)4-8(12)11(10,3)18-6(2)16/h4,8-10H,1-3H3/t8-,9-,10+,11+/m0/s1
InChIKey PZKIZKAZOGXOJF-UKKRHICBSA-N
Mol Weight 495.93 g/mol
Molecular Formula C11H13Br2IO4
Exact Mass 493.82253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nfHsqWxVOb
Name (1S,2s,5R,6S)-4-(Acetyloxy)-2,5-dibromo-4-iodo-1-methyl-3-cyclohexenyl Acetate
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Formula C11H13Br2IO4
InChI InChI=1S/C11H13Br2IO4/c1-5(15)17-10-9(13)7(14)4-8(12)11(10,3)18-6(2)16/h4,8-10H,1-3H3/t8-,9-,10+,11+/m0/s1
InChIKey PZKIZKAZOGXOJF-UKKRHICBSA-N
Molecular Weight 495.933 g/mol
SMILES [C@@]1([C@](OC(=O)C)([C@@](Br)(C(I)=C[C@@]1(Br)[H])[H])[H])(C)OC(=O)C
SPLASH splash10-006x-9622000000-1ed5605fbbeb0536b728
Source of Spectrum F5-4-2214-20
Synonyms (1S,2S,3R,6S)-3,6-dibromo-4-iodo-1-methylcyclohex-4-ene-1,2-diyl diacetate Acetic acid [(1S,2R,5S,6S)-6-acetyloxy-2,5-dibromo-3-iodo-6-methyl-1-cyclohex-3-enyl] ester [(1S,2R,5S,6S)-6-acetyloxy-2,5-dibromo-3-iodo-6-methylcyclohex-3-en-1-yl] acetate [(1S,2R,5S,6S)-6-acetoxy-2,5-dibromo-3-iodo-6-methyl-cyclohex-3-en-1-yl] acetate [(1S,2R,5S,6S)-6-acetyloxy-2,5-bis(bromanyl)-3-iodanyl-6-methyl-cyclohex-3-en-1-yl] ethanoate
Wiley ID 1732786