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4-({[1-(4-fluorophenyl)-1H-tetraazol-5-yl]sulfanyl}methyl)benzoic acid
SpectraBase Compound ID FCSWk8pX3mu
InChI InChI=1S/C15H11FN4O2S/c16-12-5-7-13(8-6-12)20-15(17-18-19-20)23-9-10-1-3-11(4-2-10)14(21)22/h1-8H,9H2,(H,21,22)
InChIKey XXIHAMCWQINAKZ-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C15H11FN4O2S
Exact Mass 330.058675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wcmg1GSZVf
Name 4-({[1-(4-fluorophenyl)-1H-tetraazol-5-yl]sulfanyl}methyl)benzoic 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/C15H11FN4O2S/c16-12-5-7-13(8-6-12)20-15(17-18-19-20)23-9-10-1-3-11(4-2-10)14(21)22/h1-8H,9H2,(H,21,22)
InChIKey XXIHAMCWQINAKZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22317
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: D58591; Labnumber: SPLUK-0908; SBI_ID: SBI-022321
Temperature 318 °C