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benzoic acid, 4-[[[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl ester
SpectraBase Compound ID A81ARwTeZmU
InChI InChI=1S/C27H23Cl2N3O4S/c1-36-26(35)18-7-9-19(10-8-18)30-24(33)16-23-25(34)32(20-11-12-21(28)22(29)15-20)27(37)31(23)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14,16H2,1H3,(H,30,33)
InChIKey VPYXFUQYXLVJFY-UHFFFAOYSA-N
Mol Weight 556.46 g/mol
Molecular Formula C27H23Cl2N3O4S
Exact Mass 555.078633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 14LXNp2Gnp0
Name benzoic acid, 4-[[[1-(3,4-dichlorophenyl)-5-oxo-3-(2-phenylethyl)-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl 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 555.078632803 u
Formula C27H23Cl2N3O4S
InChI InChI=1S/C27H23Cl2N3O4S/c1-36-26(35)18-7-9-19(10-8-18)30-24(33)16-23-25(34)32(20-11-12-21(28)22(29)15-20)27(37)31(23)14-13-17-5-3-2-4-6-17/h2-12,15,23H,13-14,16H2,1H3,(H,30,33)
InChIKey VPYXFUQYXLVJFY-UHFFFAOYSA-N
Molecular Weight 556.464 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10409
Solvent DMSO-d6
Source Vendor ID: NMR/9323077; Lab Info: L-04; Lab Number: L-04,Polunin