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acetamide, 2-[[5-[4-(decyloxy)phenyl]-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)-
SpectraBase Compound ID C6OdjLgyoIu
InChI InChI=1S/C31H42N4O3S/c1-3-5-6-7-8-9-10-14-23-37-28-19-17-26(18-20-28)30-33-34-31(35(30)22-4-2)39-25-29(36)32-21-24-38-27-15-12-11-13-16-27/h4,11-13,15-20H,2-3,5-10,14,21-25H2,1H3,(H,32,36)
InChIKey PLFCTSFRXWNNAT-UHFFFAOYSA-N
Mol Weight 550.8 g/mol
Molecular Formula C31H42N4O3S
Exact Mass 550.297762 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HH3588l960G
Name acetamide, 2-[[5-[4-(decyloxy)phenyl]-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.297762399 u
Formula C31H42N4O3S
InChI InChI=1S/C31H42N4O3S/c1-3-5-6-7-8-9-10-14-23-37-28-19-17-26(18-20-28)30-33-34-31(35(30)22-4-2)39-25-29(36)32-21-24-38-27-15-12-11-13-16-27/h4,11-13,15-20H,2-3,5-10,14,21-25H2,1H3,(H,32,36)
InChIKey PLFCTSFRXWNNAT-UHFFFAOYSA-N
Molecular Weight 550.762 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14071
Solvent DMSO-d6
Source Vendor ID: NMR/10300246; Lab Info: LP; Lab Number: LP-217747