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Ethyl cis-4-iodocyclohexane carboxylate
SpectraBase Compound ID 8weJ6I8hHXW
InChI InChI=1S/C9H15IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKey STVLWAGUQVPCAZ-OCAPTIKFSA-N
Mol Weight 282.12 g/mol
Molecular Formula C9H15IO2
Exact Mass 282.011675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dBOHNgyOqV
Name Ethyl cis-4-iodocyclohexane carboxylate
Alternate Name(s) (1s,4s)-ethyl 4-iodocyclohexanecarboxylate
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Formula C9H15IO2
InChI InChI=1S/C9H15IO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKey STVLWAGUQVPCAZ-OCAPTIKFSA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 282.121 g/mol
SMILES C1C[C@](C(=O)OCC)(CC[C@@]1(I)[H])[H]
SPLASH splash10-0a60-9810000000-52a8d0cf0a0d1f2183d9
Source of Spectrum A1-16-924/SM3-cis_1a
Wiley ID 1747748