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-(2-Iodophenyl)-2-(trans-octahydroquinolin-1(2H)-yl)ethane-1,2-dione
SpectraBase Compound ID DTrm7cSQ3Me
InChI InChI=1S/C17H20INO2/c18-14-9-3-2-8-13(14)16(20)17(21)19-11-5-7-12-6-1-4-10-15(12)19/h2-3,8-9,12,15H,1,4-7,10-11H2/t12-,15+/m1/s1
InChIKey DQOFDBMVPSSEDM-DOMZBBRYSA-N
Mol Weight 397.26 g/mol
Molecular Formula C17H20INO2
Exact Mass 397.053874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2TWT8zi4ro
Name -(2-Iodophenyl)-2-(trans-octahydroquinolin-1(2H)-yl)ethane-1,2-dione
Appearance Yellow oil
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Formula C17H20INO2
InChI InChI=1S/C17H20INO2/c18-14-9-3-2-8-13(14)16(20)17(21)19-11-5-7-12-6-1-4-10-15(12)19/h2-3,8-9,12,15H,1,4-7,10-11H2/t12-,15+/m1/s1
InChIKey DQOFDBMVPSSEDM-DOMZBBRYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202205440
Molecular Weight 397.256 g/mol
Quality 141
Reported Formula C17H20INO2
SMILES C1=CC=C(C(=C1)I)C(C(=O)N1CCC[C@@]2([C@@]1(CCCC2)[H])[H])=O
SPLASH splash10-014i-5910000000-c2d5f4a0854352477f94
Source of Spectrum ACI-61-SM37-11d (DOI: 10.1002/anie.202205440)
Wiley ID 1897853