| SpectraBase Spectrum ID |
1mJ3Oa8UkL4 |
| Name |
benzoic acid, 4-[3-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, ethyl 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 |
446.070320589 u |
| Formula |
C21H19ClN2O5S |
| InChI |
InChI=1S/C21H19ClN2O5S/c1-2-29-21(28)13-3-9-16(10-4-13)24-19(26)11-17(20(24)27)30-12-18(25)23-15-7-5-14(22)6-8-15/h3-10,17H,2,11-12H2,1H3,(H,23,25) |
| InChIKey |
VLKDPADCSJKUKA-UHFFFAOYSA-N |
| Molecular Weight |
446.905 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5627 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9251703; Lab Info: L-04; Lab Number: L-04,Polunin |
![benzoic acid, 4-[3-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, ethyl ester](/api/spectrum/1mJ3Oa8UkL4/structure.png?h=300&w=458 "benzoic acid, 4-[3-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, ethyl ester")
