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benzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-3-methanaminium, 7,8,9,10,11,13-hexahydro-4-hydroxy-N,N-dimethyl-13-oxo-, chloride

View entire compound with spectra: 1 NMR

benzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-3-methanaminium, 7,8,9,10,11,13-hexahydro-4-hydroxy-N,N-dimethyl-13-oxo-, chloride
SpectraBase Compound ID 4btCOJYCabG
InChI InChI=1S/C18H21N3O2S.ClH/c1-20(2)10-11-7-8-12-14-17(24-16(12)15(11)22)19-13-6-4-3-5-9-21(13)18(14)23;/h7-8,22H,3-6,9-10H2,1-2H3;1H
InChIKey RQKFRIJFPXVBEH-UHFFFAOYSA-N
Mol Weight 379.91 g/mol
Molecular Formula C18H22ClN3O2S
Exact Mass 379.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4I3Po3nWmhU
Name benzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-3-methanaminium, 7,8,9,10,11,13-hexahydro-4-hydroxy-N,N-dimethyl-13-oxo-, 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/C18H21N3O2S.ClH/c1-20(2)10-11-7-8-12-14-17(24-16(12)15(11)22)19-13-6-4-3-5-9-21(13)18(14)23;/h7-8,22H,3-6,9-10H2,1-2H3;1H
InChIKey RQKFRIJFPXVBEH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5149
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: NMR/12218728