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3-pyridinemethanaminium, N-[[3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]phenyl]methyl]-, chloride
SpectraBase Compound ID 8riKHQX6M44
InChI InChI=1S/C21H20N6O2.ClH/c1-28-20-12-16(13-23-15-17-6-5-11-22-14-17)9-10-19(20)29-21-24-25-26-27(21)18-7-3-2-4-8-18;/h2-12,14,23H,13,15H2,1H3;1H
InChIKey WCOBFLODYURYES-UHFFFAOYSA-N
Mol Weight 424.89 g/mol
Molecular Formula C21H21ClN6O2
Exact Mass 424.141452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AIBTCrIFCEp
Name 3-pyridinemethanaminium, N-[[3-methoxy-4-[(1-phenyl-1H-tetrazol-5-yl)oxy]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/C21H20N6O2.ClH/c1-28-20-12-16(13-23-15-17-6-5-11-22-14-17)9-10-19(20)29-21-24-25-26-27(21)18-7-3-2-4-8-18;/h2-12,14,23H,13,15H2,1H3;1H
InChIKey WCOBFLODYURYES-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8382
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: F32120; Labnumber: SPHRAM1-35480