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

SpectraBase Compound ID	KXdJITNhcgs
InChI	InChI=1S/C21H24N4S/c1-13-18(11-25(2)24-13)6-17(10-22)20-23-19(12-26-20)21-7-14-3-15(8-21)5-16(4-14)9-21/h6,11-12,14-16H,3-5,7-9H2,1-2H3/b17-6+/t14-,15+,16-,21-
InChIKey	WMLKNIFLXSMSNV-ZJQAYACRSA-N Google Search
Mol Weight	364.51 g/mol
Molecular Formula	C21H24N4S
Exact Mass	364.172168 g/mol

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SpectraBase Spectrum ID	KpeoO9FS5CV
Name	(2E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1,3-dimethyl-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/C21H24N4S/c1-13-18(11-25(2)24-13)6-17(10-22)20-23-19(12-26-20)21-7-14-3-15(8-21)5-16(4-14)9-21/h6,11-12,14-16H,3-5,7-9H2,1-2H3/b17-6+/t14-,15+,16-,21-
InChIKey	WMLKNIFLXSMSNV-ZJQAYACRSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_33233
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: 1912260; SBI_ID: SBI-033237
Synonyms	2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-propenenitrile
Temperature	306 °C