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1-(BENZYLOXY)-4-(TRIFLUOROMETHYL)-5-BENZOATE-2-NONYNE

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1-(BENZYLOXY)-4-(TRIFLUOROMETHYL)-5-BENZOATE-2-NONYNE
SpectraBase Compound ID KtUmJMwJJKr
InChI InChI=1S/C24H25F3O3/c1-2-3-16-22(30-23(28)20-13-8-5-9-14-20)21(24(25,26)27)15-10-17-29-18-19-11-6-4-7-12-19/h4-9,11-14,21-22H,2-3,16-18H2,1H3/t21-,22+/m0/s1
InChIKey OLVOQIGBTUBMAL-FCHUYYIVSA-N
Mol Weight 418.46 g/mol
Molecular Formula C24H25F3O3
Exact Mass 418.175579 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AaAVBsDCdrS
Name 1-(BENZYLOXY)-4-(TRIFLUOROMETHYL)-5-BENZOATE-2-NONYNE
Compound Number 8A-BENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25F3O3
InChI InChI=1S/C24H25F3O3/c1-2-3-16-22(30-23(28)20-13-8-5-9-14-20)21(24(25,26)27)15-10-17-29-18-19-11-6-4-7-12-19/h4-9,11-14,21-22H,2-3,16-18H2,1H3/t21-,22+/m0/s1
InChIKey OLVOQIGBTUBMAL-FCHUYYIVSA-N
Literature Reference Author T.SAKAMOTO,K.TAKAHASHI,T.YAMAZAKI,T.KITAZUME
Literature Reference Citation J.ORG.CHEM.,64,9467(1999)
Literature Reference DOI 10.1021/jo991086l
Solvent CDCl3
Source File Reference UWLU60074