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methyl 4-[({[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID t9kjT3C0Yt
InChI InChI=1S/C23H26N4O3S/c1-23(2,3)17-10-6-15(7-11-17)20-25-26-22(27(20)4)31-14-19(28)24-18-12-8-16(9-13-18)21(29)30-5/h6-13H,14H2,1-5H3,(H,24,28)
InChIKey AYJVRWOHUNPXLO-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C23H26N4O3S
Exact Mass 438.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LlgkPFIzoGQ
Name methyl 4-[({[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C23H26N4O3S/c1-23(2,3)17-10-6-15(7-11-17)20-25-26-22(27(20)4)31-14-19(28)24-18-12-8-16(9-13-18)21(29)30-5/h6-13H,14H2,1-5H3,(H,24,28)
InChIKey AYJVRWOHUNPXLO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4384
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: D98924; Labnumber: GRES-28563; SBI_ID: SBI-004386
Temperature 306 °C