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1,3-benzodioxole-5-methanaminium, N-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]-, chloride
SpectraBase Compound ID 6lNiKBF7g3z
InChI InChI=1S/C21H21NO4S.ClH/c1-23-20-9-15(4-6-18(20)24-13-17-3-2-8-27-17)11-22-12-16-5-7-19-21(10-16)26-14-25-19;/h2-10,22H,11-14H2,1H3;1H
InChIKey OOUKPJGZUSCIMA-UHFFFAOYSA-N
Mol Weight 419.92 g/mol
Molecular Formula C21H22ClNO4S
Exact Mass 419.095807 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Akp47P4ilE
Name 1,3-benzodioxole-5-methanaminium, N-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]-, 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/C21H21NO4S.ClH/c1-23-20-9-15(4-6-18(20)24-13-17-3-2-8-27-17)11-22-12-16-5-7-19-21(10-16)26-14-25-19;/h2-10,22H,11-14H2,1H3;1H
InChIKey OOUKPJGZUSCIMA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3659
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: F18034; Labnumber: SPHRAM1-35232