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

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2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID 58Ui9g6pDqv
InChI InChI=1S/C20H19ClN4OS/c1-3-12-25-19(15-6-4-14(2)5-7-15)23-24-20(25)27-13-18(26)22-17-10-8-16(21)9-11-17/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey NBTTYADIOOCHBT-UHFFFAOYSA-N
Mol Weight 398.91 g/mol
Molecular Formula C20H19ClN4OS
Exact Mass 398.09681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F1wUyEGsHhX
Name 2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)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/C20H19ClN4OS/c1-3-12-25-19(15-6-4-14(2)5-7-15)23-24-20(25)27-13-18(26)22-17-10-8-16(21)9-11-17/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey NBTTYADIOOCHBT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14361
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: D98312; Labnumber: GRES-19147; SBI_ID: SBI-014364
Temperature 308 °C