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N-[4-(benzyloxy)phenyl]-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 4Qc35j7OMAg
InChI InChI=1S/C28H30N4O2S/c1-28(2,3)22-12-10-21(11-13-22)26-30-31-27(32(26)4)35-19-25(33)29-23-14-16-24(17-15-23)34-18-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3,(H,29,33)
InChIKey YKBWXYBFMCYMIQ-UHFFFAOYSA-N
Mol Weight 486.63 g/mol
Molecular Formula C28H30N4O2S
Exact Mass 486.208947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KG9iaFyickv
Name N-[4-(benzyloxy)phenyl]-2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}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/C28H30N4O2S/c1-28(2,3)22-12-10-21(11-13-22)26-30-31-27(32(26)4)35-19-25(33)29-23-14-16-24(17-15-23)34-18-20-8-6-5-7-9-20/h5-17H,18-19H2,1-4H3,(H,29,33)
InChIKey YKBWXYBFMCYMIQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4572
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: D99197; Labnumber: GRES-32991; SBI_ID: SBI-004574
Temperature 315 °C