(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile

SpectraBase Compound ID	JYuY590XTxY
InChI	InChI=1S/C21H17N3O2S/c1-2-14-3-5-15(6-4-14)18-12-27-21(24-18)16(10-22)11-23-17-7-8-19-20(9-17)26-13-25-19/h3-9,11-12,23H,2,13H2,1H3/b16-11+
InChIKey	QHIZTQZAHBUIEK-LFIBNONCSA-N Google Search
Mol Weight	375.45 g/mol
Molecular Formula	C21H17N3O2S
Exact Mass	375.104148 g/mol

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SpectraBase Spectrum ID	Loc6KqiqVXe
Name	(2E)-3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-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/C21H17N3O2S/c1-2-14-3-5-15(6-4-14)18-12-27-21(24-18)16(10-22)11-23-17-7-8-19-20(9-17)26-13-25-19/h3-9,11-12,23H,2,13H2,1H3/b16-11+
InChIKey	QHIZTQZAHBUIEK-LFIBNONCSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_4497
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: 120515; Labnumber: ULGAP-10-0705; VK_ID: VK-004498
Synonyms	3-(1,3-benzodioxol-5-ylamino)-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Temperature	318 °C