(2E)-2-butenedioic acid compound with 4,9-dihydrothieno[2,3-c][2]benzothiepin-4-yl 2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ether (1:1)

SpectraBase Compound ID	EQOaskpShTl
InChI	InChI=1S/C22H24N4OS2.C4H4O4/c1-2-5-18-17(4-1)16-29-21-19(6-15-28-21)20(18)27-14-13-25-9-11-26(12-10-25)22-23-7-3-8-24-22;5-3(6)1-2-4(7)8/h1-8,15,20H,9-14,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	HAUVJBFPTIBTBC-WLHGVMLRSA-N Google Search
Mol Weight	540.65 g/mol
Molecular Formula	C26H28N4O5S2
Exact Mass	540.150112 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	Fp00TMxLjjD
Name	(2E)-2-butenedioic acid compound with 4,9-dihydrothieno[2,3-c][2]benzothiepin-4-yl 2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ether (1:1)
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/C22H24N4OS2.C4H4O4/c1-2-5-18-17(4-1)16-29-21-19(6-15-28-21)20(18)27-14-13-25-9-11-26(12-10-25)22-23-7-3-8-24-22;5-3(6)1-2-4(7)8/h1-8,15,20H,9-14,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	HAUVJBFPTIBTBC-WLHGVMLRSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16698
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: 987/00004247; Labnumber: 987/00004247218851; VK_ID: VK-016703
Synonyms	2-butenedioic acid compound with 4,9-dihydrothieno[2,3-c][2]benzothiepin-4-yl 2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ether (1:1)
Temperature	308 °C