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1,4-benzodioxin-6-methanaminium, 2,3-dihydro-N-[2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl]-, chloride
SpectraBase Compound ID KRYgzs7wIpG
InChI InChI=1S/C13H17N5O2S.ClH/c1-18-13(15-16-17-18)21-7-4-14-9-10-2-3-11-12(8-10)20-6-5-19-11;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKey LOPVCGNKULPZDA-UHFFFAOYSA-N
Mol Weight 343.83 g/mol
Molecular Formula C13H18ClN5O2S
Exact Mass 343.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9dfwvnx5JHl
Name 1,4-benzodioxin-6-methanaminium, 2,3-dihydro-N-[2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl]-, 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/C13H17N5O2S.ClH/c1-18-13(15-16-17-18)21-7-4-14-9-10-2-3-11-12(8-10)20-6-5-19-11;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKey LOPVCGNKULPZDA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3608
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: F17958; Labnumber: SPHRAM1-31129