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4-(5'-dodecyl-[2,2'-bithiophen]-5-yl)-2-methylbut-3-yn-2-ol
SpectraBase Compound ID 9P5naAa7JMz
InChI InChI=1S/C25H36OS2/c1-4-5-6-7-8-9-10-11-12-13-14-21-15-17-23(27-21)24-18-16-22(28-24)19-20-25(2,3)26/h15-18,26H,4-14H2,1-3H3
InChIKey YUVDXILZQDEJEN-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C25H36OS2
Exact Mass 416.220758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EY2dMoBg7Kc
Name 4-(5'-dodecyl-[2,2'-bithiophen]-5-yl)-2-methylbut-3-yn-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36OS2
InChI InChI=1S/C25H36OS2/c1-4-5-6-7-8-9-10-11-12-13-14-21-15-17-23(27-21)24-18-16-22(28-24)19-20-25(2,3)26/h15-18,26H,4-14H2,1-3H3
InChIKey YUVDXILZQDEJEN-UHFFFAOYSA-N
Molecular Weight 416.682 g/mol
SMILES OC(C#Cc1ccc(s1)-c1ccc(s1)CCCCCCCCCCCC)(C)C
SPLASH splash10-0005-2198200000-6c217389d999c222efed
Source of Spectrum Baji Shaik, et al. Tetrahedron, V.69, 2013, P.8191-8198
Wiley ID 1817207