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2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sec-butylphenyl)acetamide

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2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sec-butylphenyl)acetamide
SpectraBase Compound ID EdcUmDlSvzU
InChI InChI=1S/C23H25ClN4OS/c1-4-14-28-22(19-8-6-7-9-20(19)24)26-27-23(28)30-15-21(29)25-18-12-10-17(11-13-18)16(3)5-2/h4,6-13,16H,1,5,14-15H2,2-3H3,(H,25,29)
InChIKey XTKROYNLQYLBHO-UHFFFAOYSA-N
Mol Weight 440.99 g/mol
Molecular Formula C23H25ClN4OS
Exact Mass 440.14376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CLZKCfjEcyF
Name 2-{[4-allyl-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sec-butylphenyl)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/C23H25ClN4OS/c1-4-14-28-22(19-8-6-7-9-20(19)24)26-27-23(28)30-15-21(29)25-18-12-10-17(11-13-18)16(3)5-2/h4,6-13,16H,1,5,14-15H2,2-3H3,(H,25,29)
InChIKey XTKROYNLQYLBHO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14591
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: D98744; Labnumber: GRES-25765; SBI_ID: SBI-014594
Temperature 318 °C