(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-propenenitrile

SpectraBase Compound ID	2VID8sl71nc
InChI	InChI=1S/C21H13Cl2N3O3S/c1-11(27)14-5-19-20(29-10-28-19)6-17(14)25-8-13(7-24)21-26-18(9-30-21)12-2-3-15(22)16(23)4-12/h2-6,8-9,25H,10H2,1H3/b13-8+
InChIKey	KXAADSYPCZTYSF-MDWZMJQESA-N Google Search
Mol Weight	458.32 g/mol
Molecular Formula	C21H13Cl2N3O3S
Exact Mass	457.005468 g/mol

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SpectraBase Spectrum ID	2kUj1hIsEkL
Name	(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dichlorophenyl)-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/C21H13Cl2N3O3S/c1-11(27)14-5-19-20(29-10-28-19)6-17(14)25-8-13(7-24)21-26-18(9-30-21)12-2-3-15(22)16(23)4-12/h2-6,8-9,25H,10H2,1H3/b13-8+
InChIKey	KXAADSYPCZTYSF-MDWZMJQESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_4493
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: 120509; Labnumber: ULGAP-09-5374; VK_ID: VK-004494
Synonyms	3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Temperature	318 °C