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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID 4Y2vnhR08BP
InChI InChI=1S/C21H21ClN4O2S/c1-3-12-26-19(13-28-16-8-5-4-6-9-16)24-25-21(26)29-14-20(27)23-18-11-7-10-17(22)15(18)2/h3-11H,1,12-14H2,2H3,(H,23,27)
InChIKey XGKPFYICUDRNAC-UHFFFAOYSA-N
Mol Weight 428.94 g/mol
Molecular Formula C21H21ClN4O2S
Exact Mass 428.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1eDZV7lfdXI
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-2-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/C21H21ClN4O2S/c1-3-12-26-19(13-28-16-8-5-4-6-9-16)24-25-21(26)29-14-20(27)23-18-11-7-10-17(22)15(18)2/h3-11H,1,12-14H2,2H3,(H,23,27)
InChIKey XGKPFYICUDRNAC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11320
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: E06625; Labnumber: GRES-26351; SBI_ID: SBI-011323
Temperature 308 °C