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2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
SpectraBase Compound ID G5o51Eb4kLK
InChI InChI=1S/C22H23ClN4OS/c1-4-13-27-21(17-11-6-7-12-18(17)23)25-26-22(27)29-14-19(28)24-20-15(3)9-8-10-16(20)5-2/h4,6-12H,1,5,13-14H2,2-3H3,(H,24,28)
InChIKey NESUIOAPIDIPJC-UHFFFAOYSA-N
Mol Weight 426.97 g/mol
Molecular Formula C22H23ClN4OS
Exact Mass 426.12811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ZpJr2XDlRr
Name 2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
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/C22H23ClN4OS/c1-4-13-27-21(17-11-6-7-12-18(17)23)25-26-22(27)29-14-19(28)24-20-15(3)9-8-10-16(20)5-2/h4,6-12H,1,5,13-14H2,2-3H3,(H,24,28)
InChIKey NESUIOAPIDIPJC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14403
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: D98388; Labnumber: GRES-20216; SBI_ID: SBI-014406
Temperature 308 °C