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1-(Dimethylaminomethylethynyl)-8-iodo-3,6-di(tert-butyl)fluorene
SpectraBase Compound ID 7ujnreickXu
InChI InChI=1S/C26H32IN/c1-25(2,3)18-12-17(10-9-11-28(7)8)20-16-23-22(21(20)13-18)14-19(15-24(23)27)26(4,5)6/h12-15H,11,16H2,1-8H3
InChIKey VCHQDSCQKUSSMZ-UHFFFAOYSA-N
Mol Weight 485.5 g/mol
Molecular Formula C26H32IN
Exact Mass 485.157945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3YW5YBaAlD
Name 1-(Dimethylaminomethylethynyl)-8-iodo-3,6-di(tert-butyl)fluorene
Alternate Name(s) 3-(3,6-ditert-butyl-8-iodo-9H-fluoren-1-yl)-N,N-dimethyl-2-propyn-1-amine N-[3-(3,6-ditert-butyl-8-iodo-9H-fluoren-1-yl)-2-propynyl]-N,N-dimethylamine
Comments Less than 3 mono-isotopic peaks
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Formula C26H32IN
InChI InChI=1S/C26H32IN/c1-25(2,3)18-12-17(10-9-11-28(7)8)20-16-23-22(21(20)13-18)14-19(15-24(23)27)26(4,5)6/h12-15H,11,16H2,1-8H3
InChIKey VCHQDSCQKUSSMZ-UHFFFAOYSA-N
Molecular Weight 485.453 g/mol
SMILES c12-c3c(c(I)cc(c3)C(C)(C)C)Cc1c(C#CCN(C)C)cc(c2)C(C)(C)C
SPLASH splash10-0006-0000900000-5f41f60fcf53cac7616b
Source of Spectrum KC-61-1592-22
Wiley ID 1627601