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acetamide, N-[(5-benzoyl-2-hydroxyphenyl)methyl]-2-[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]thio]-
SpectraBase Compound ID 9tWO3xySWNu
InChI InChI=1S/C19H18N4O4S/c24-15-7-6-13(18(26)12-4-2-1-3-5-12)8-14(15)9-20-17(25)11-28-10-16-21-19(27)23-22-16/h1-8,24H,9-11H2,(H,20,25)(H2,21,22,23,27)
InChIKey FIKKQWDWLDKTJR-UHFFFAOYSA-N
Mol Weight 398.44 g/mol
Molecular Formula C19H18N4O4S
Exact Mass 398.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7soYOcKFJYH
Name acetamide, N-[(5-benzoyl-2-hydroxyphenyl)methyl]-2-[[(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)methyl]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 398.104876246 u
Formula C19H18N4O4S
InChI InChI=1S/C19H18N4O4S/c24-15-7-6-13(18(26)12-4-2-1-3-5-12)8-14(15)9-20-17(25)11-28-10-16-21-19(27)23-22-16/h1-8,24H,9-11H2,(H,20,25)(H2,21,22,23,27)
InChIKey FIKKQWDWLDKTJR-UHFFFAOYSA-N
Molecular Weight 398.437 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10992
Solvent DMSO-d6
Source Vendor ID: NMR/10251189; Lab Info: LP; Lab Number: LP-2100670