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acetic acid, [[6-[[[[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-2-benzothiazolyl]thio]-, ethyl ester

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acetic acid, [[6-[[[[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-2-benzothiazolyl]thio]-, ethyl ester
SpectraBase Compound ID FxwClbDD79G
InChI InChI=1S/C22H20N6O5S3/c1-3-33-19(30)12-35-22-24-16-8-7-14(10-17(16)36-22)23-18(29)11-34-21-26-25-20(27(21)2)13-5-4-6-15(9-13)28(31)32/h4-10H,3,11-12H2,1-2H3,(H,23,29)
InChIKey FSJSOHGUDSODTC-UHFFFAOYSA-N
Mol Weight 544.62 g/mol
Molecular Formula C22H20N6O5S3
Exact Mass 544.065731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HLPcSNAiYBa
Name acetic acid, [[6-[[[[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-2-benzothiazolyl]thio]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.065731285 u
Formula C22H20N6O5S3
InChI InChI=1S/C22H20N6O5S3/c1-3-33-19(30)12-35-22-24-16-8-7-14(10-17(16)36-22)23-18(29)11-34-21-26-25-20(27(21)2)13-5-4-6-15(9-13)28(31)32/h4-10H,3,11-12H2,1-2H3,(H,23,29)
InChIKey FSJSOHGUDSODTC-UHFFFAOYSA-N
Molecular Weight 544.619 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12202
Solvent DMSO-d6
Source Vendor ID: NMR/10220520; Lab Info: LP; Lab Number: LP-0621001