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methyl {[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
SpectraBase Compound ID FJfaWxjiVHO
InChI InChI=1S/C18H16ClN3O3S/c1-24-15-9-3-12(4-10-15)17-20-21-18(26-11-16(23)25-2)22(17)14-7-5-13(19)6-8-14/h3-10H,11H2,1-2H3
InChIKey HJFYTAVLVFJFNI-UHFFFAOYSA-N
Mol Weight 389.86 g/mol
Molecular Formula C18H16ClN3O3S
Exact Mass 389.06009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2LtRIH8cSqi
Name methyl {[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
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/C18H16ClN3O3S/c1-24-15-9-3-12(4-10-15)17-20-21-18(26-11-16(23)25-2)22(17)14-7-5-13(19)6-8-14/h3-10H,11H2,1-2H3
InChIKey HJFYTAVLVFJFNI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17359
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: D25637; Labnumber: GRES-04734; SBI_ID: SBI-017362
Temperature 306 °C