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1-(3-METHYL)ADAMANTYLTRIFLUOROHEPTANOATE
SpectraBase Compound ID HHH8Vppem1M
InChI InChI=1S/C18H17F13O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)33-10(32)13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h8-9H,2-7H2,1H3/t8-,9+,11-,12-
InChIKey FUNVDKYGQRXOLV-VSKBNFNDSA-N
Mol Weight 512.31 g/mol
Molecular Formula C18H17F13O2
Exact Mass 512.102096 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kXgO1Dc5ZA
Name 1-(3-METHYL)ADAMANTYLTRIFLUOROHEPTANOATE
Comments ASSIGNED (A.Y.);WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H17F13O2
InChI InChI=1S/C18H17F13O2/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)33-10(32)13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h8-9H,2-7H2,1H3/t8-,9+,11-,12-
InChIKey FUNVDKYGQRXOLV-VSKBNFNDSA-N
Instrument Name SEE COMMENT
Literature Reference V.A.SOLOSHONOK, A.B.KHOTKEVICH, YU.A.SERGUCHEV (1989) Zhurn.Org.Khim.(Russ.Lang.): v.25, N10, 2242-2243.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d