SpectraBase Spectrum ID |
LJQCrLxC5Jl |
Name |
(2Z)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-propenenitrile |
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/C27H28N4S/c1-17-24(18(2)31(30-17)23-6-4-3-5-7-23)11-22(15-28)26-29-25(16-32-26)27-12-19-8-20(13-27)10-21(9-19)14-27/h3-7,11,16,19-21H,8-10,12-14H2,1-2H3/b22-11-/t19-,20+,21-,27- |
InChIKey |
SGOTZEXIMGXBEN-WXYKIZKBSA-N |
NMR Offset |
15.3209 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_SBI_36227_34239 |
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: 2177084; SBI_ID: SBI-034243 |
Synonyms |
2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-propenenitrile |
Temperature |
297 °C |