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methyl 4-(5-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-1H-tetraazol-1-yl)benzoate
SpectraBase Compound ID L488vIrQ9u1
InChI InChI=1S/C19H17FN4O3S/c1-27-18(26)14-6-10-16(11-7-14)24-19(21-22-23-24)28-12-2-3-17(25)13-4-8-15(20)9-5-13/h4-11H,2-3,12H2,1H3
InChIKey SRJKWYGOVHMETP-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C19H17FN4O3S
Exact Mass 400.10054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EcXFLumdgdf
Name methyl 4-(5-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-1H-tetraazol-1-yl)benzoate
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/C19H17FN4O3S/c1-27-18(26)14-6-10-16(11-7-14)24-19(21-22-23-24)28-12-2-3-17(25)13-4-8-15(20)9-5-13/h4-11H,2-3,12H2,1H3
InChIKey SRJKWYGOVHMETP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22302
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: D58575; Labnumber: SPLUK-0857; SBI_ID: SBI-022306
Temperature 318 °C