(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-propenenitrile

SpectraBase Compound ID	8RH1k2WzwN9
InChI	InChI=1S/C28H20N2O5S/c1-32-26-12-18(7-9-24(26)33-15-23(31)19-5-3-2-4-6-19)11-21(14-29)28-30-22(16-36-28)20-8-10-25-27(13-20)35-17-34-25/h2-13,16H,15,17H2,1H3/b21-11-
InChIKey	BKLJFFFBASQLOB-NHDPSOOVSA-N Google Search
Mol Weight	496.54 g/mol
Molecular Formula	C28H20N2O5S
Exact Mass	496.109293 g/mol

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SpectraBase Spectrum ID	6SK8s3blk9b
Name	(2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-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/C28H20N2O5S/c1-32-26-12-18(7-9-24(26)33-15-23(31)19-5-3-2-4-6-19)11-21(14-29)28-30-22(16-36-28)20-8-10-25-27(13-20)35-17-34-25/h2-13,16H,15,17H2,1H3/b21-11-
InChIKey	BKLJFFFBASQLOB-NHDPSOOVSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_1942
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: C99501; Labnumber: ULGA8-0277; SBI_ID: SBI-001944
Synonyms	2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-propenenitrile
Temperature	318 °C