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acetamide, N-[4-(acetylamino)phenyl]-2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID LAL2otjHZdG
InChI InChI=1S/C27H27N5O3S/c1-18-9-14-24(15-19(18)2)35-16-25-30-31-27(32(25)23-7-5-4-6-8-23)36-17-26(34)29-22-12-10-21(11-13-22)28-20(3)33/h4-15H,16-17H2,1-3H3,(H,28,33)(H,29,34)
InChIKey VHODWDNOQOLGPH-UHFFFAOYSA-N
Mol Weight 501.61 g/mol
Molecular Formula C27H27N5O3S
Exact Mass 501.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4nJ5wmVOXcK
Name acetamide, N-[4-(acetylamino)phenyl]-2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.183460920 u
Formula C27H27N5O3S
InChI InChI=1S/C27H27N5O3S/c1-18-9-14-24(15-19(18)2)35-16-25-30-31-27(32(25)23-7-5-4-6-8-23)36-17-26(34)29-22-12-10-21(11-13-22)28-20(3)33/h4-15H,16-17H2,1-3H3,(H,28,33)(H,29,34)
InChIKey VHODWDNOQOLGPH-UHFFFAOYSA-N
Molecular Weight 501.605 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4002
Solvent DMSO-d6
Source Vendor ID: NMR/9223373; Lab Info: LP; Lab Number: LP-2190405
Temperature 29.85 °C