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2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID I0cseWC12f5
InChI InChI=1S/C21H23ClN4OS/c1-5-26-20(16-8-6-7-9-17(16)22)24-25-21(26)28-12-18(27)23-19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,23,27)
InChIKey OPULEFMYWNDMEP-UHFFFAOYSA-N
Mol Weight 414.96 g/mol
Molecular Formula C21H23ClN4OS
Exact Mass 414.12811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 31BBv7K00FX
Name 2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
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/C21H23ClN4OS/c1-5-26-20(16-8-6-7-9-17(16)22)24-25-21(26)28-12-18(27)23-19-14(3)10-13(2)11-15(19)4/h6-11H,5,12H2,1-4H3,(H,23,27)
InChIKey OPULEFMYWNDMEP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14308
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: D98164; Labnumber: GRES-16701; SBI_ID: SBI-014311
Temperature 318 °C