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1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]-4-methoxy-but-2-yn-1-one
SpectraBase Compound ID G551eq0V2fF
InChI InChI=1S/C22H25IN2O2/c1-24(2)18-10-8-16(20(14-18)22(26)7-6-12-27-5)13-17-9-11-19(25(3)4)15-21(17)23/h8-11,14-15H,12-13H2,1-5H3
InChIKey JGLKWJBKWVDHTO-UHFFFAOYSA-N
Mol Weight 476.36 g/mol
Molecular Formula C22H25IN2O2
Exact Mass 476.096073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbEMvnXDykl
Name 1-[5-(dimethylamino)-2-[4-(dimethylamino)-2-iodo-benzyl]phenyl]-4-methoxy-but-2-yn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25IN2O2
InChI InChI=1S/C22H25IN2O2/c1-24(2)18-10-8-16(20(14-18)22(26)7-6-12-27-5)13-17-9-11-19(25(3)4)15-21(17)23/h8-11,14-15H,12-13H2,1-5H3
InChIKey JGLKWJBKWVDHTO-UHFFFAOYSA-N
Molecular Weight 476.358 g/mol
SMILES c1(c(Cc2c(cc(cc2)N(C)C)I)ccc(c1)N(C)C)C(C#CCOC)=O
SPLASH splash10-0006-9005400000-0f3d50755f09c32d9601
Source of Spectrum SK-31-346-3
Synonyms 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodanyl-phenyl]methyl]phenyl]-4-methoxy-but-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodo-phenyl]methyl]phenyl]-4-methoxy-but-2-yn-1-one 1-[5-(dimethylamino)-2-[[4-(dimethylamino)-2-iodophenyl]methyl]phenyl]-4-methoxy-2-butyn-1-one
Wiley ID 881674