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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

View entire compound with spectra: 1 NMR

2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID H9zq4fE45NS
InChI InChI=1S/C29H30N4O4S/c1-29(2,3)20-7-5-19(6-8-20)27-31-32-28(33(27)22-10-12-23(35-4)13-11-22)38-18-26(34)30-21-9-14-24-25(17-21)37-16-15-36-24/h5-14,17H,15-16,18H2,1-4H3,(H,30,34)
InChIKey DDNLKKQSKHGFGS-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 T264JJQ6ew
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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/C29H30N4O4S/c1-29(2,3)20-7-5-19(6-8-20)27-31-32-28(33(27)22-10-12-23(35-4)13-11-22)38-18-26(34)30-21-9-14-24-25(17-21)37-16-15-36-24/h5-14,17H,15-16,18H2,1-4H3,(H,30,34)
InChIKey DDNLKKQSKHGFGS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17400
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: D25579; Labnumber: GRES-04662; SBI_ID: SBI-017403
Temperature 308 °C