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2-[(3-bromo-13-oxo-7,8,9,10,11,13-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)oxy]-N,N-diethylethanaminium chloride

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2-[(3-bromo-13-oxo-7,8,9,10,11,13-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)oxy]-N,N-diethylethanaminium chloride
SpectraBase Compound ID HMcGsrdXCse
InChI InChI=1S/C21H26BrN3O2S.ClH/c1-3-24(4-2)12-13-27-18-15(22)10-9-14-17-20(28-19(14)18)23-16-8-6-5-7-11-25(16)21(17)26;/h9-10H,3-8,11-13H2,1-2H3;1H
InChIKey ATOLPYOTEYFUPS-UHFFFAOYSA-N
Mol Weight 500.88 g/mol
Molecular Formula C21H27BrClN3O2S
Exact Mass 499.069589 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GYE9pAB88SC
Name ethanaminium, 2-[(3-bromo-7,8,9,10,11,13-hexahydro-13-oxobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepin-4-yl)oxy]-N,N-diethyl-, chloride
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/C21H26BrN3O2S.ClH/c1-3-24(4-2)12-13-27-18-15(22)10-9-14-17-20(28-19(14)18)23-16-8-6-5-7-11-25(16)21(17)26;/h9-10H,3-8,11-13H2,1-2H3;1H
InChIKey ATOLPYOTEYFUPS-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_6258
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: ZI/6014447; Labnumber: SMM-1041; IOH_ID: IOH-013261
Temperature 297 °C