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

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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 5kW24AuBT6L
InChI InChI=1S/C29H30N4O3S/c1-19-5-12-23(13-6-19)33-27(20-7-9-21(10-8-20)29(2,3)4)31-32-28(33)37-18-26(34)30-22-11-14-24-25(17-22)36-16-15-35-24/h5-14,17H,15-16,18H2,1-4H3,(H,30,34)
InChIKey FVHLFHBMBDGWLO-UHFFFAOYSA-N
Mol Weight 514.64 g/mol
Molecular Formula C29H30N4O3S
Exact Mass 514.203862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JzpQR17wxN
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-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/C29H30N4O3S/c1-19-5-12-23(13-6-19)33-27(20-7-9-21(10-8-20)29(2,3)4)31-32-28(33)37-18-26(34)30-22-11-14-24-25(17-22)36-16-15-35-24/h5-14,17H,15-16,18H2,1-4H3,(H,30,34)
InChIKey FVHLFHBMBDGWLO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14283
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: D98067; Labnumber: GRES-15230; SBI_ID: SBI-014286
Temperature 308 °C