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2-(4-Chloro-phenylsulfanyl)-5-nitro-benzoic acid

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2-(4-Chloro-phenylsulfanyl)-5-nitro-benzoic acid
SpectraBase Compound ID EvGXHkXUdqV
InChI InChI=1S/C13H8ClNO4S/c14-8-1-4-10(5-2-8)20-12-6-3-9(15(18)19)7-11(12)13(16)17/h1-7H,(H,16,17)
InChIKey BVVJQOLVSLSVQN-UHFFFAOYSA-N
Mol Weight 309.72 g/mol
Molecular Formula C13H8ClNO4S
Exact Mass 308.986257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0KJpcgNh25
Name benzoic acid, 2-[(4-chlorophenyl)thio]-5-nitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.986256612 u
Formula C13H8ClNO4S
InChI InChI=1S/C13H8ClNO4S/c14-8-1-4-10(5-2-8)20-12-6-3-9(15(18)19)7-11(12)13(16)17/h1-7H,(H,16,17)
InChIKey BVVJQOLVSLSVQN-UHFFFAOYSA-N
Molecular Weight 309.723 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13189
Solvent DMSO-d6
Source Vendor ID: NMR/10301295; Lab Info: LP; Lab Number: LP-2101373