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acetamide, N-(3-methylphenyl)-2-[[3-[[2-[(3-methylphenyl)amino]-2-oxoethyl]thio]-1,2,4-thiadiazol-5-yl]thio]-
SpectraBase Compound ID HZYgFzs70ma
InChI InChI=1S/C20H20N4O2S3/c1-13-5-3-7-15(9-13)21-17(25)11-27-19-23-20(29-24-19)28-12-18(26)22-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey IPTOQFNKYVTZOB-UHFFFAOYSA-N
Mol Weight 444.59 g/mol
Molecular Formula C20H20N4O2S3
Exact Mass 444.074839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EDMzH68B3hM
Name acetamide, N-(3-methylphenyl)-2-[[3-[[2-[(3-methylphenyl)amino]-2-oxoethyl]thio]-1,2,4-thiadiazol-5-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 444.074839420 u
Formula C20H20N4O2S3
InChI InChI=1S/C20H20N4O2S3/c1-13-5-3-7-15(9-13)21-17(25)11-27-19-23-20(29-24-19)28-12-18(26)22-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKey IPTOQFNKYVTZOB-UHFFFAOYSA-N
Molecular Weight 444.586 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4730
Solvent DMSO-d6
Source Vendor ID: ZI/9063422; Lab Info: NKS; Lab Number: NKS-0111122