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1,3-benzodioxole-5-methanaminium, N-[2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl]-, chloride
SpectraBase Compound ID 5R9s5f4bswn
InChI InChI=1S/C17H17N5O2S.ClH/c1-2-4-14(5-3-1)22-17(19-20-21-22)25-9-8-18-11-13-6-7-15-16(10-13)24-12-23-15;/h1-7,10,18H,8-9,11-12H2;1H
InChIKey HHCNOHRQUVVEKY-UHFFFAOYSA-N
Mol Weight 391.88 g/mol
Molecular Formula C17H18ClN5O2S
Exact Mass 391.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HHqvKAl9Qsb
Name 1,3-benzodioxole-5-methanaminium, 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/C17H17N5O2S.ClH/c1-2-4-14(5-3-1)22-17(19-20-21-22)25-9-8-18-11-13-6-7-15-16(10-13)24-12-23-15;/h1-7,10,18H,8-9,11-12H2;1H
InChIKey HHCNOHRQUVVEKY-UHFFFAOYSA-N
NMR Offset 15.5025
NMR Spectrometer Frequency 300.134
Observed nucleus 1H
Origin 1H_SBI_11628_3571
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: F17901; Labnumber: SPHRAM1-30652