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(2E)-1-(1-adamantyl)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2-propen-1-one
SpectraBase Compound ID El8x5gEKhAd
InChI InChI=1S/C28H30N2O2S/c1-32-25-8-6-18(13-22(25)17-33-27-29-23-4-2-3-5-24(23)30-27)7-9-26(31)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-9,13,19-21H,10-12,14-17H2,1H3,(H,29,30)/b9-7+/t19-,20+,21-,28-
InChIKey MVTNDQYHVUKHLO-GTQHWZEMSA-N
Mol Weight 458.62 g/mol
Molecular Formula C28H30N2O2S
Exact Mass 458.202799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jh6yCNOUHkc
Name (2E)-1-(1-adamantyl)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)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/C28H30N2O2S/c1-32-25-8-6-18(13-22(25)17-33-27-29-23-4-2-3-5-24(23)30-27)7-9-26(31)28-14-19-10-20(15-28)12-21(11-19)16-28/h2-9,13,19-21H,10-12,14-17H2,1H3,(H,29,30)/b9-7+/t19-,20+,21-,28-
InChIKey MVTNDQYHVUKHLO-GTQHWZEMSA-N
NMR Offset 17.5268
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_20566
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: UZI/9249095; UBI_ID: UBI-020570
Synonyms 1-(1-adamantyl)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2-propen-1-one
Temperature 300 °C