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N-{[5-(3-chloro-2-methylphenyl)-2-furyl]methyl}-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID 9rb3UORsIB8
InChI InChI=1S/C17H20ClN5OS.ClH/c1-12-14(5-3-6-15(12)18)16-8-7-13(24-16)11-19-9-4-10-25-17-20-21-22-23(17)2;/h3,5-8,19H,4,9-11H2,1-2H3;1H
InChIKey FETXDDDWEPJHRK-UHFFFAOYSA-N
Mol Weight 414.36 g/mol
Molecular Formula C17H21Cl2N5OS
Exact Mass 413.084387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KsO2RctpTpm
Name N-{[5-(3-chloro-2-methylphenyl)-2-furyl]methyl}-3-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium 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/C17H20ClN5OS.ClH/c1-12-14(5-3-6-15(12)18)16-8-7-13(24-16)11-19-9-4-10-25-17-20-21-22-23(17)2;/h3,5-8,19H,4,9-11H2,1-2H3;1H
InChIKey FETXDDDWEPJHRK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35398
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: E90969; SBI_ID: SBI-035402
Temperature 308 °C