(2E)-2-butenedioic acid compound with 4-{3-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]propyl}-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile (1:1)

SpectraBase Compound ID	CMviBXkzi4M
InChI	InChI=1S/C24H30N2O2S.C4H4O4/c1-26(15-11-19-9-10-21(27-2)22(17-19)28-3)14-6-12-24(18-25)13-16-29-23-8-5-4-7-20(23)24;5-3(6)1-2-4(7)8/h4-5,7-10,17H,6,11-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	LFDPYTLLBPFHOD-WLHGVMLRSA-N Google Search
Mol Weight	526.65 g/mol
Molecular Formula	C28H34N2O6S
Exact Mass	526.213758 g/mol

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SpectraBase Spectrum ID	88XDCQtITi
Name	(2E)-2-butenedioic acid compound with 4-{3-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]propyl}-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile (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/C24H30N2O2S.C4H4O4/c1-26(15-11-19-9-10-21(27-2)22(17-19)28-3)14-6-12-24(18-25)13-16-29-23-8-5-4-7-20(23)24;5-3(6)1-2-4(7)8/h4-5,7-10,17H,6,11-16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	LFDPYTLLBPFHOD-WLHGVMLRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_14739
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: 987/00000496; Labnumber: 987/00000496218804; VK_ID: VK-014744
Synonyms	2-butenedioic acid compound with 4-{3-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]propyl}-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile (1:1)
Temperature	318 °C