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1,1-bis[ 4'-(Dimethylamino)phenyl]-3-[ 2',5'-bis(trifluoromethyl)-3'-thienyl ]-2-propyn-1-ol
SpectraBase Compound ID EkOgTe4waWe
InChI InChI=1S/C25H22F6N2OS/c1-32(2)19-9-5-17(6-10-19)23(34,18-7-11-20(12-8-18)33(3)4)14-13-16-15-21(24(26,27)28)35-22(16)25(29,30)31/h5-12,15,34H,1-4H3
InChIKey PSCXTXDICQYNCG-UHFFFAOYSA-N
Mol Weight 512.51 g/mol
Molecular Formula C25H22F6N2OS
Exact Mass 512.135703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVUg7JLLzC0
Name 1,1-bis[ 4'-(Dimethylamino)phenyl]-3-[ 2',5'-bis(trifluoromethyl)-3'-thienyl ]-2-propyn-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C25H22F6N2OS
InChI InChI=1S/C25H22F6N2OS/c1-32(2)19-9-5-17(6-10-19)23(34,18-7-11-20(12-8-18)33(3)4)14-13-16-15-21(24(26,27)28)35-22(16)25(29,30)31/h5-12,15,34H,1-4H3
InChIKey PSCXTXDICQYNCG-UHFFFAOYSA-N
Molecular Weight 512.514 g/mol
SMILES OC(C#Cc1c(sc(C(F)(F)F)c1)C(F)(F)F)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
SPLASH splash10-03dj-0000790000-ff02317f7d57f822961c
Source of Spectrum K-127-1631-11
Synonyms 3-[2,5-bis(trifluoromethyl)-3-thienyl]-1,1-bis[4-(dimethylamino)phenyl]-2-propyn-1-ol
Wiley ID 1400762