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2-(1-adamantyl)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluoro-1,3-butanedione

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2-(1-adamantyl)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluoro-1,3-butanedione
SpectraBase Compound ID 9LCY94gmqGP
InChI InChI=1S/C22H25F3O4/c1-28-16-4-3-15(8-17(16)29-2)19(26)18(20(27)22(23,24)25)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14,18H,5-7,9-11H2,1-2H3
InChIKey KQHPQHSKJKPGGW-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C22H25F3O4
Exact Mass 410.170494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60EMgUPQxW4
Name 2-(1-adamantyl)-1-(3,4-dimethoxyphenyl)-4,4,4-trifluoro-1,3-butanedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H25F3O4/c1-28-16-4-3-15(8-17(16)29-2)19(26)18(20(27)22(23,24)25)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14,18H,5-7,9-11H2,1-2H3
InChIKey KQHPQHSKJKPGGW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4810
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10301556; Labnumber: BUT-0000053; IOH_ID: IOH-004811