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N-(2-chloro-6-fluorobenzyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-1-propanaminium chloride
SpectraBase Compound ID K6rYrgmbSai
InChI InChI=1S/C17H17ClFN5S.ClH/c18-15-8-4-9-16(19)14(15)12-20-10-5-11-25-17-21-22-23-24(17)13-6-2-1-3-7-13;/h1-4,6-9,20H,5,10-12H2;1H
InChIKey WIYNQUPHEMPXPK-UHFFFAOYSA-N
Mol Weight 414.33 g/mol
Molecular Formula C17H18Cl2FN5S
Exact Mass 413.0644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7NgGkjxhSQr
Name N-(2-chloro-6-fluorobenzyl)-3-[(1-phenyl-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/C17H17ClFN5S.ClH/c18-15-8-4-9-16(19)14(15)12-20-10-5-11-25-17-21-22-23-24(17)13-6-2-1-3-7-13;/h1-4,6-9,20H,5,10-12H2;1H
InChIKey WIYNQUPHEMPXPK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35364
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: E90933; SBI_ID: SBI-035368
Temperature 308 °C