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N-(2-((2,6-Dimethylphenyl)amino)-1-(2-iodophenyl)-2-oxoethyl)hex-2-ynamide
SpectraBase Compound ID K9A4CMj23b6
InChI InChI=1S/C22H23IN2O2/c1-4-5-6-14-19(26)24-21(17-12-7-8-13-18(17)23)22(27)25-20-15(2)10-9-11-16(20)3/h7-13,21H,4-5H2,1-3H3,(H,24,26)(H,25,27)
InChIKey ZBOXZNOUKXYPOL-UHFFFAOYSA-N
Mol Weight 474.34 g/mol
Molecular Formula C22H23IN2O2
Exact Mass 474.080423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4hMSY3OQv2
Name N-(2-((2,6-Dimethylphenyl)amino)-1-(2-iodophenyl)-2-oxoethyl)hex-2-ynamide
Appearance White solid
Carrier Gas (1.0 mLmin-1)
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Exact Mass 474.080422987 u
Formula C22H23IN2O2
GC Column HP-1 column
GC Oven Program Oven temp 170oC
InChI InChI=1S/C22H23IN2O2/c1-4-5-6-14-19(26)24-21(17-12-7-8-13-18(17)23)22(27)25-20-15(2)10-9-11-16(20)3/h7-13,21H,4-5H2,1-3H3,(H,24,26)(H,25,27)
InChIKey ZBOXZNOUKXYPOL-UHFFFAOYSA-N
Instrument Name GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404209
Molecular Weight 474.342 g/mol
Quality 262
Reported Formula C22H23IN2O2
SMILES N(C(C(=O)NC1=C(C=CC=C1C)C)C1=C(C=CC=C1)I)C(C#CCCC)=O
SPLASH splash10-0f6t-9410000000-895343e18d839474a420
Source of Spectrum QE-21-SM3-8b (DOI: 10.1002/chem.201404209)
Thin-Layer Chromatography 0.22 (PE/AcOEt 3:1)
Wiley ID 1906481