(2E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-5-yl)-2-propenenitrile

SpectraBase Compound ID	B87RNBzAwR1
InChI	InChI=1S/C20H22N4S/c1-24-17(2-3-22-24)7-16(11-21)19-23-18(12-25-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,12-15H,4-6,8-10H2,1H3/b16-7+/t13-,14+,15-,20-
InChIKey	IKOPYUCKEPSNAG-GHFVPDCJSA-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	69zlIeUOrYp
Name	(2E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-5-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/c1-24-17(2-3-22-24)7-16(11-21)19-23-18(12-25-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,12-15H,4-6,8-10H2,1H3/b16-7+/t13-,14+,15-,20-
InChIKey	IKOPYUCKEPSNAG-GHFVPDCJSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_32917
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: 1911746; SBI_ID: SBI-032921
Synonyms	2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1-methyl-1H-pyrazol-5-yl)-2-propenenitrile
Temperature	306 °C