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methyl 4-[({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID BCdOqPifAtU
InChI InChI=1S/C29H30N4O4S/c1-29(2,3)21-10-6-19(7-11-21)26-31-32-28(33(26)23-14-16-24(36-4)17-15-23)38-18-25(34)30-22-12-8-20(9-13-22)27(35)37-5/h6-17H,18H2,1-5H3,(H,30,34)
InChIKey PLIBCRCSLFSCDB-UHFFFAOYSA-N
Mol Weight 530.64 g/mol
Molecular Formula C29H30N4O4S
Exact Mass 530.198777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H3VgjTakt9l
Name methyl 4-[({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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/C29H30N4O4S/c1-29(2,3)21-10-6-19(7-11-21)26-31-32-28(33(26)23-14-16-24(36-4)17-15-23)38-18-25(34)30-22-12-8-20(9-13-22)27(35)37-5/h6-17H,18H2,1-5H3,(H,30,34)
InChIKey PLIBCRCSLFSCDB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17404
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: D25583; Labnumber: GRES-04666; SBI_ID: SBI-017407
Temperature 308 °C