(2Z)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-2-propenenitrile

SpectraBase Compound ID	6rGUxzKq7gD
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 Google Search
Mol Weight	440.61 g/mol
Molecular Formula	C27H28N4S
Exact Mass	440.203468 g/mol

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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