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

SpectraBase Compound ID	GbdwtrP1He5
InChI	InChI=1S/C20H22N4S/c1-24-11-16(10-22-24)5-17(9-21)19-23-18(12-25-19)20-6-13-2-14(7-20)4-15(3-13)8-20/h5,10-15H,2-4,6-8H2,1H3/b17-5-/t13-,14+,15-,20-
InChIKey	GXTNJSPNZURYAJ-WBMZUSDHSA-N Google Search
Mol Weight	350.48 g/mol
Molecular Formula	C20H22N4S
Exact Mass	350.156518 g/mol

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SpectraBase Spectrum ID	42DJOaXypt
Name	(2Z)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1-methyl-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/C20H22N4S/c1-24-11-16(10-22-24)5-17(9-21)19-23-18(12-25-19)20-6-13-2-14(7-20)4-15(3-13)8-20/h5,10-15H,2-4,6-8H2,1H3/b17-5-/t13-,14+,15-,20-
InChIKey	GXTNJSPNZURYAJ-WBMZUSDHSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_33132
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: 1912089; SBI_ID: SBI-033136
Synonyms	2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-4-yl)-2-propenenitrile
Temperature	318 °C