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3-thiophenemethanaminium, N-[2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl]-, chloride
SpectraBase Compound ID HOPvDHSES9R
InChI InChI=1S/C14H15N5S2.ClH/c1-2-4-13(5-3-1)19-14(16-17-18-19)21-9-7-15-10-12-6-8-20-11-12;/h1-6,8,11,15H,7,9-10H2;1H
InChIKey LEXBAZDXFUSINE-UHFFFAOYSA-N
Mol Weight 353.89 g/mol
Molecular Formula C14H16ClN5S2
Exact Mass 353.053566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KWCCmaHLXr
Name 3-thiophenemethanaminium, N-[2-[(1-phenyl-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/C14H15N5S2.ClH/c1-2-4-13(5-3-1)19-14(16-17-18-19)21-9-7-15-10-12-6-8-20-11-12;/h1-6,8,11,15H,7,9-10H2;1H
InChIKey LEXBAZDXFUSINE-UHFFFAOYSA-N
NMR Offset 15.5017
NMR Spectrometer Frequency 300.134
Observed nucleus 1H
Origin 1H_SBI_11628_3575
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: F17905; Labnumber: SPHRAM1-30713