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acetamide, N-[5-[2-[(4-methylphenyl)sulfonyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)thio]-
SpectraBase Compound ID HzdfTOCzE0
InChI InChI=1S/C20H21N3O3S3/c1-14-3-7-16(8-4-14)27-13-18(24)21-20-23-22-19(28-20)11-12-29(25,26)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,21,23,24)
InChIKey HLCQTMKUZGEYSP-UHFFFAOYSA-N
Mol Weight 447.59 g/mol
Molecular Formula C20H21N3O3S3
Exact Mass 447.074505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AXsllrK5fUa
Name acetamide, N-[5-[2-[(4-methylphenyl)sulfonyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)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 447.074505067 u
Formula C20H21N3O3S3
InChI InChI=1S/C20H21N3O3S3/c1-14-3-7-16(8-4-14)27-13-18(24)21-20-23-22-19(28-20)11-12-29(25,26)17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3,(H,21,23,24)
InChIKey HLCQTMKUZGEYSP-UHFFFAOYSA-N
Molecular Weight 447.586 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1109
Solvent DMSO-d6
Source Vendor ID: ZI/8028473; Lab Info: AI; Lab Number: AI-1402992