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4-[5-[(E)-[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid ethyl ester

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4-[5-[(E)-[3-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid ethyl ester
SpectraBase Compound ID BulTyzWKnS
InChI InChI=1S/C21H17N5O6S/c1-3-30-20(29)13-6-4-12(5-7-13)15-9-8-14(31-15)10-16-19(28)26(21(22)33-16)18-17(23-11(2)27)24-32-25-18/h4-10,22H,3H2,1-2H3,(H,23,24,27)/b16-10+,22-21?
InChIKey FZPXJIOYRFWQNG-RKXKGQSESA-N
Mol Weight 467.46 g/mol
Molecular Formula C21H17N5O6S
Exact Mass 467.089954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GKmm9DkDwOg
Name benzoic acid, 4-[5-[(E)-[3-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-, 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 467.089954455 u
Formula C21H17N5O6S
InChI InChI=1S/C21H17N5O6S/c1-3-30-20(29)13-6-4-12(5-7-13)15-9-8-14(31-15)10-16-19(28)26(21(22)33-16)18-17(23-11(2)27)24-32-25-18/h4-10,22H,3H2,1-2H3,(H,23,24,27)/b16-10+,22-21?
InChIKey FZPXJIOYRFWQNG-RKXKGQSESA-N
Molecular Weight 467.456 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14625
Solvent DMSO-d6
Source Vendor ID: NMR/10310703; Lab Info: SAD; Lab Number: 37