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2-Chloro-5-[5-[(Z)-(2-imino-4-keto-3-thiazol-2-yl-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid
SpectraBase Compound ID D2uI4PakWlj
InChI InChI=1S/C18H10ClN3O4S2/c19-12-3-1-9(7-11(12)16(24)25)13-4-2-10(26-13)8-14-15(23)22(17(20)28-14)18-21-5-6-27-18/h1-8,20H,(H,24,25)/b14-8-,20-17?
InChIKey PSYPAVVACJZRSK-RKPSFQJFSA-N
Mol Weight 431.87 g/mol
Molecular Formula C18H10ClN3O4S2
Exact Mass 430.980126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bmp5L5Ein6g
Name benzoic acid, 2-chloro-5-[5-[(Z)-[2-imino-4-oxo-3-(2-thiazolyl)-5-thiazolidinylidene]methyl]-2-furanyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.980125858 u
Formula C18H10ClN3O4S2
InChI InChI=1S/C18H10ClN3O4S2/c19-12-3-1-9(7-11(12)16(24)25)13-4-2-10(26-13)8-14-15(23)22(17(20)28-14)18-21-5-6-27-18/h1-8,20H,(H,24,25)/b14-8-,20-17?
InChIKey PSYPAVVACJZRSK-RKPSFQJFSA-N
Molecular Weight 431.868 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17775
Solvent DMSO-d6
Source Vendor ID: NMR/11240294; Lab Info: SAD; Lab Number: 30