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2-Iodo-4-methylphenyl 4-phenylcyclohexen-1-carboxylate
SpectraBase Compound ID pHvmojC2kd
InChI InChI=1S/C20H19IO2/c1-14-7-12-19(18(21)13-14)23-20(22)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-7,10,12-13,16H,8-9,11H2,1H3
InChIKey GNBBZMFCDDLVKL-UHFFFAOYSA-N
Mol Weight 418.27 g/mol
Molecular Formula C20H19IO2
Exact Mass 418.042975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dS6XMqNFH
Name 2-Iodo-4-methylphenyl 4-phenylcyclohexen-1-carboxylate
Alternate Name(s) 2-iodo-4-methylphenyl 4-phenyl-1-cyclohexene-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C20H19IO2
InChI InChI=1S/C20H19IO2/c1-14-7-12-19(18(21)13-14)23-20(22)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-7,10,12-13,16H,8-9,11H2,1H3
InChIKey GNBBZMFCDDLVKL-UHFFFAOYSA-N
Molecular Weight 418.274 g/mol
SMILES C1(=CCC(CC1)c1ccccc1)C(=O)Oc1c(cc(cc1)C)I
SPLASH splash10-000i-0900000000-de6a8bd4662f1abb89b6
Source of Spectrum SO-0-834-3
Wiley ID 1545762