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2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
SpectraBase Compound ID F7nW44Yzmhw
InChI InChI=1S/C22H17Cl2N5OS/c1-2-11-29-21(19-10-7-14-5-3-4-6-18(14)26-19)27-28-22(29)31-13-20(30)25-15-8-9-16(23)17(24)12-15/h2-10,12H,1,11,13H2,(H,25,30)
InChIKey CKILHABSAPEGCI-UHFFFAOYSA-N
Mol Weight 470.38 g/mol
Molecular Formula C22H17Cl2N5OS
Exact Mass 469.053087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ioy8nKA6M8O
Name 2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)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 469.053086760 u
Formula C22H17Cl2N5OS
InChI InChI=1S/C22H17Cl2N5OS/c1-2-11-29-21(19-10-7-14-5-3-4-6-18(14)26-19)27-28-22(29)31-13-20(30)25-15-8-9-16(23)17(24)12-15/h2-10,12H,1,11,13H2,(H,25,30)
InChIKey CKILHABSAPEGCI-UHFFFAOYSA-N
Molecular Weight 470.378 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1248
Solvent DMSO-d6
Source Vendor ID: NMR/12269410