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methyl {[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
SpectraBase Compound ID 9M08pVtx2rV
InChI InChI=1S/C18H16ClN3O2S/c1-12-3-9-15(10-4-12)22-17(13-5-7-14(19)8-6-13)20-21-18(22)25-11-16(23)24-2/h3-10H,11H2,1-2H3
InChIKey QWSURMVLDQZXPJ-UHFFFAOYSA-N
Mol Weight 373.86 g/mol
Molecular Formula C18H16ClN3O2S
Exact Mass 373.065176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6TnEfMA8qKg
Name methyl {[5-(4-chlorophenyl)-4-(4-methylphenyl)-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/C18H16ClN3O2S/c1-12-3-9-15(10-4-12)22-17(13-5-7-14(19)8-6-13)20-21-18(22)25-11-16(23)24-2/h3-10H,11H2,1-2H3
InChIKey QWSURMVLDQZXPJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17360
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: D25639; Labnumber: GRES-04738; SBI_ID: SBI-017363
Temperature 306 °C