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2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
SpectraBase Compound ID A8Qyfboz0cO
InChI InChI=1S/C26H25ClN4O3S/c1-3-33-21-15-13-20(14-16-21)31-25(18-9-11-19(27)12-10-18)29-30-26(31)35-17-24(32)28-22-7-5-6-8-23(22)34-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,32)
InChIKey TWMQWXOBRUZCPP-UHFFFAOYSA-N
Mol Weight 509.02 g/mol
Molecular Formula C26H25ClN4O3S
Exact Mass 508.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1P4KHCR3Ux9
Name 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethoxyphenyl)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/C26H25ClN4O3S/c1-3-33-21-15-13-20(14-16-21)31-25(18-9-11-19(27)12-10-18)29-30-26(31)35-17-24(32)28-22-7-5-6-8-23(22)34-4-2/h5-16H,3-4,17H2,1-2H3,(H,28,32)
InChIKey TWMQWXOBRUZCPP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14392
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: D98369; Labnumber: GRES-19978; SBI_ID: SBI-014395
Temperature 308 °C