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trans-2-Iodocyclohexyl p-nitrobenzoate
SpectraBase Compound ID 5qRKkBYM4E7
InChI InChI=1S/C13H14INO4/c14-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)15(17)18/h5-8,11-12H,1-4H2/t11-,12-/m1/s1
InChIKey HTOLEXYNOGFQHZ-VXGBXAGGSA-N
Mol Weight 375.16 g/mol
Molecular Formula C13H14INO4
Exact Mass 374.996753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvChzD3zGJH
Name trans-2-Iodocyclohexyl p-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid[(1R,2R)-2-iodocyclohexyl]ester [(1R,2R)-2-iodanylcyclohexyl]4-nitrobenzoate [(1R,2R)-2-iodocyclohexyl]4-nitrobenzoate [(1R,2R)-2-iodocyclohexyl] 4-nitrobenzoate [(1R,2R)-2-iodanylcyclohexyl] 4-nitrobenzoate
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Formula C13H14INO4
InChI InChI=1S/C13H14INO4/c14-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)15(17)18/h5-8,11-12H,1-4H2/t11-,12-/m1/s1
InChIKey HTOLEXYNOGFQHZ-VXGBXAGGSA-N
Molecular Weight 375.162 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@]2([C@](I)(CCCC2)[H])[H])=O)cc1
SPLASH splash10-0zfs-0790000000-2b2c9001cf0b6c00978b
Source of Spectrum KC-0-43-0
Wiley ID 780500