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benzoic acid, 2-[[[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-6-benzothiazolyl]amino]carbonyl]-
SpectraBase Compound ID JTWYxfUNThu
InChI InChI=1S/C24H19N3O4S2/c28-21(25-13-15-6-2-1-3-7-15)14-32-24-27-19-11-10-16(12-20(19)33-24)26-22(29)17-8-4-5-9-18(17)23(30)31/h1-12H,13-14H2,(H,25,28)(H,26,29)(H,30,31)
InChIKey QSCDWVINXQPVMC-UHFFFAOYSA-N
Mol Weight 477.55 g/mol
Molecular Formula C24H19N3O4S2
Exact Mass 477.081698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6YveeQmMDvv
Name benzoic acid, 2-[[[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]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 477.081698448 u
Formula C24H19N3O4S2
InChI InChI=1S/C24H19N3O4S2/c28-21(25-13-15-6-2-1-3-7-15)14-32-24-27-19-11-10-16(12-20(19)33-24)26-22(29)17-8-4-5-9-18(17)23(30)31/h1-12H,13-14H2,(H,25,28)(H,26,29)(H,30,31)
InChIKey QSCDWVINXQPVMC-UHFFFAOYSA-N
Molecular Weight 477.553 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4776
Solvent DMSO-d6
Source Vendor ID: NMR/9296419; Lab Info: LP; Lab Number: LP-0609111