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2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
SpectraBase Compound ID LlnvIqcJ9mP
InChI InChI=1S/C24H23N5O2S/c1-3-15-29-23(21-14-9-17-7-5-6-8-20(17)26-21)27-28-24(29)32-16-22(30)25-18-10-12-19(13-11-18)31-4-2/h3,5-14H,1,4,15-16H2,2H3,(H,25,30)
InChIKey PWSXNRHBDAKCKM-UHFFFAOYSA-N
Mol Weight 445.54 g/mol
Molecular Formula C24H23N5O2S
Exact Mass 445.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eaxtb5h0rJD
Name 2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.157246173 u
Formula C24H23N5O2S
InChI InChI=1S/C24H23N5O2S/c1-3-15-29-23(21-14-9-17-7-5-6-8-20(17)26-21)27-28-24(29)32-16-22(30)25-18-10-12-19(13-11-18)31-4-2/h3,5-14H,1,4,15-16H2,2H3,(H,25,30)
InChIKey PWSXNRHBDAKCKM-UHFFFAOYSA-N
Molecular Weight 445.541 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1253
Solvent DMSO-d6
Source Vendor ID: NMR/12269415