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 |