(2E)-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxo-2H-chromen-6-yl)amino]-2-propenenitrile

SpectraBase Compound ID	2tFZ2F1kHyE
InChI	InChI=1S/C25H21N3O2S/c1-16(2)11-17-3-5-18(6-4-17)22-15-31-25(28-22)20(13-26)14-27-21-8-9-23-19(12-21)7-10-24(29)30-23/h3-10,12,14-16,27H,11H2,1-2H3/b20-14+
InChIKey	VQBRLYMZCCMNEI-XSFVSMFZSA-N Google Search
Mol Weight	427.52 g/mol
Molecular Formula	C25H21N3O2S
Exact Mass	427.135448 g/mol

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SpectraBase Spectrum ID	EhPGlvgHGeW
Name	(2E)-2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxo-2H-chromen-6-yl)amino]-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/C25H21N3O2S/c1-16(2)11-17-3-5-18(6-4-17)22-15-31-25(28-22)20(13-26)14-27-21-8-9-23-19(12-21)7-10-24(29)30-23/h3-10,12,14-16,27H,11H2,1-2H3/b20-14+
InChIKey	VQBRLYMZCCMNEI-XSFVSMFZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_4512
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: 120534; Labnumber: ULGAP-11-5083; VK_ID: VK-004513
Synonyms	2-[4-(4-isobutylphenyl)-1,3-thiazol-2-yl]-3-[(2-oxo-2H-chromen-6-yl)amino]-2-propenenitrile
Temperature	318 °C