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Bis[4-(dimethylamino)phenyl][4-ethynyl-2,5-bis(trifluoromethyl)-3-thienyl]methanol
SpectraBase Compound ID HAlkVWG6v1b
InChI InChI=1S/C25H22F6N2OS/c1-6-19-20(22(25(29,30)31)35-21(19)24(26,27)28)23(34,15-7-11-17(12-8-15)32(2)3)16-9-13-18(14-10-16)33(4)5/h1,7-14,34H,2-5H3
InChIKey LEBMUDMHAVVYRL-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 LF2e7jXXXwx
Name Bis[4-(dimethylamino)phenyl][4-ethynyl-2,5-bis(trifluoromethyl)-3-thienyl]methanol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22F6N2OS
InChI InChI=1S/C25H22F6N2OS/c1-6-19-20(22(25(29,30)31)35-21(19)24(26,27)28)23(34,15-7-11-17(12-8-15)32(2)3)16-9-13-18(14-10-16)33(4)5/h1,7-14,34H,2-5H3
InChIKey LEBMUDMHAVVYRL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19941270914
Molecular Weight 512.514 g/mol
SMILES OC(c1ccc(N(C)C)cc1)(c1c(sc(c1C#C)C(F)(F)F)C(F)(F)F)c1ccc(N(C)C)cc1
SPLASH splash10-03ka-0600290000-451554a87e6b04e452da
Source of Spectrum K-127-1632-12j
Synonyms bis(4-(dimethylamino)phenyl)(4-ethynyl-2,5-bis(trifluoromethyl)thiophen-3-yl)methanol
Wiley ID 1792387