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benzoic acid, 2-[[[2-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-6-benzothiazolyl]amino]carbonyl]-
SpectraBase Compound ID 4LT79tt6XyN
InChI InChI=1S/C25H19N3O5S2/c1-14(29)15-6-8-16(9-7-15)26-22(30)13-34-25-28-20-11-10-17(12-21(20)35-25)27-23(31)18-4-2-3-5-19(18)24(32)33/h2-12H,13H2,1H3,(H,26,30)(H,27,31)(H,32,33)
InChIKey CNGVFIOHCRDNIX-UHFFFAOYSA-N
Mol Weight 505.56 g/mol
Molecular Formula C25H19N3O5S2
Exact Mass 505.076613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2cC630hd08u
Name benzoic acid, 2-[[[2-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-6-benzothiazolyl]amino]carbonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.076613067 u
Formula C25H19N3O5S2
InChI InChI=1S/C25H19N3O5S2/c1-14(29)15-6-8-16(9-7-15)26-22(30)13-34-25-28-20-11-10-17(12-21(20)35-25)27-23(31)18-4-2-3-5-19(18)24(32)33/h2-12H,13H2,1H3,(H,26,30)(H,27,31)(H,32,33)
InChIKey CNGVFIOHCRDNIX-UHFFFAOYSA-N
Molecular Weight 505.563 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9156
Solvent DMSO-d6
Source Vendor ID: NMR/9296420; Lab Info: LP; Lab Number: LP-0609110