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 |