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(2E)-1-(1-adamantyl)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-propen-1-one
SpectraBase Compound ID 2Y1TUFr33gB
InChI InChI=1S/C27H29FO3/c1-30-25-8-2-18(13-22(25)17-31-24-6-4-23(28)5-7-24)3-9-26(29)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-9,13,19-21H,10-12,14-17H2,1H3/b9-3+/t19-,20+,21-,27-
InChIKey NPMSZIYXZZTPCV-IAJWVXAWSA-N
Mol Weight 420.52 g/mol
Molecular Formula C27H29FO3
Exact Mass 420.210073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ISxrCdZ71Y
Name (2E)-1-(1-adamantyl)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-propen-1-one
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/C27H29FO3/c1-30-25-8-2-18(13-22(25)17-31-24-6-4-23(28)5-7-24)3-9-26(29)27-14-19-10-20(15-27)12-21(11-19)16-27/h2-9,13,19-21H,10-12,14-17H2,1H3/b9-3+/t19-,20+,21-,27-
InChIKey NPMSZIYXZZTPCV-IAJWVXAWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9389
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: 9195851; UBI_ID: UBI-009392
Synonyms 1-(1-adamantyl)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-2-propen-1-one
Temperature 318 °C