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2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID 3PMo71rerMM
InChI InChI=1S/C21H24N4O3S/c1-4-25-19(13-28-16-8-6-5-7-9-16)23-24-21(25)29-14-20(26)22-17-12-15(2)10-11-18(17)27-3/h5-12H,4,13-14H2,1-3H3,(H,22,26)
InChIKey OQYBSZWHURQMAD-UHFFFAOYSA-N
Mol Weight 412.51 g/mol
Molecular Formula C21H24N4O3S
Exact Mass 412.156912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Fx84FTGNrT
Name 2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-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/C21H24N4O3S/c1-4-25-19(13-28-16-8-6-5-7-9-16)23-24-21(25)29-14-20(26)22-17-12-15(2)10-11-18(17)27-3/h5-12H,4,13-14H2,1-3H3,(H,22,26)
InChIKey OQYBSZWHURQMAD-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11118
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: E06109; Labnumber: GRES-16229; SBI_ID: SBI-011121
Temperature 306 °C