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2-HEXYL-1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-(7E)-BUTEN-9-YNE
SpectraBase Compound ID 3eVEVl8OBu1
InChI InChI=1S/C16H15F13/c1-3-5-6-7-8-10(4-2)9-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2,9H,3,5-8H2,1H3/b10-9-
InChIKey ALMJLUNCMXACLN-KTKRTIGZSA-N
Mol Weight 454.28 g/mol
Molecular Formula C16H15F13
Exact Mass 454.096617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1UqBBNr39S
Name 2-HEXYL-1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-(7E)-BUTEN-9-YNE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15F13
InChI InChI=1S/C16H15F13/c1-3-5-6-7-8-10(4-2)9-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2,9H,3,5-8H2,1H3/b10-9-
InChIKey ALMJLUNCMXACLN-KTKRTIGZSA-N
Literature Reference Author S.SAITO,T.KAWASAKI,N.TSUBOYA,Y.YAMAMOTO
Literature Reference Citation J.ORG.CHEM.,66,796(2001)
Literature Reference DOI 10.1021/jo0056242
Molecular Weight 454.274 g/mol
Solvent CDCl3
Source File Reference UWVN26132