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(2E)-3-(3-{5-[(2-fluorobenzyl)sulfanyl]-1H-tetraazol-1-yl}phenyl)-2-propenoic acid
SpectraBase Compound ID KY0tfWwe63m
InChI InChI=1S/C17H13FN4O2S/c18-15-7-2-1-5-13(15)11-25-17-19-20-21-22(17)14-6-3-4-12(10-14)8-9-16(23)24/h1-10H,11H2,(H,23,24)/b9-8+
InChIKey MPKUAGVSRWIZKD-CMDGGOBGSA-N
Mol Weight 356.38 g/mol
Molecular Formula C17H13FN4O2S
Exact Mass 356.074325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FbcpN4aEkl6
Name (2E)-3-(3-{5-[(2-fluorobenzyl)sulfanyl]-1H-tetraazol-1-yl}phenyl)-2-propenoic acid
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/C17H13FN4O2S/c18-15-7-2-1-5-13(15)11-25-17-19-20-21-22(17)14-6-3-4-12(10-14)8-9-16(23)24/h1-10H,11H2,(H,23,24)/b9-8+
InChIKey MPKUAGVSRWIZKD-CMDGGOBGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22310
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: D58583; Labnumber: SPLUK-0890; SBI_ID: SBI-022314
Synonyms 3-(3-{5-[(2-fluorobenzyl)sulfanyl]-1H-tetraazol-1-yl}phenyl)-2-propenoic acid
Temperature 318 °C