(2E)-2-butenedioic acid compound with 2-(diethylamino)-N-(5,5-dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)acetamide (1:1)

SpectraBase Compound ID	VqD4QlGV26
InChI	InChI=1S/C20H24N2O3S.C4H4O4/c1-3-22(4-2)13-19(23)21-20-16-10-6-5-9-15(16)14-26(24,25)18-12-8-7-11-17(18)20;5-3(6)1-2-4(7)8/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	BLMOZBBWUDAFFM-WLHGVMLRSA-N Google Search
Mol Weight	488.56 g/mol
Molecular Formula	C24H28N2O7S
Exact Mass	488.161722 g/mol

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SpectraBase Spectrum ID	99K89heXLgK
Name	(2E)-2-butenedioic acid compound with 2-(diethylamino)-N-(5,5-dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)acetamide (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/C20H24N2O3S.C4H4O4/c1-3-22(4-2)13-19(23)21-20-16-10-6-5-9-15(16)14-26(24,25)18-12-8-7-11-17(18)20;5-3(6)1-2-4(7)8/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	BLMOZBBWUDAFFM-WLHGVMLRSA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_14773
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: 987/00000544; Labnumber: 987/00000544218805; VK_ID: VK-014778
Synonyms	2-butenedioic acid compound with 2-(diethylamino)-N-(5,5-dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)acetamide (1:1)
Temperature	308 °C