| SpectraBase Spectrum ID |
4MKksJZOnoI |
| Name |
benzoic acid, 4-[4-(2-amino-2-oxoethyl)-5-oxo-3-(3-pyridinylmethyl)-2-thioxo-1-imidazolidinyl]-, 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 |
412.120526310 u |
| Formula |
C20H20N4O4S |
| InChI |
InChI=1S/C20H20N4O4S/c1-2-28-19(27)14-5-7-15(8-6-14)24-18(26)16(10-17(21)25)23(20(24)29)12-13-4-3-9-22-11-13/h3-9,11,16H,2,10,12H2,1H3,(H2,21,25) |
| InChIKey |
RTULQHFPJMHFLS-UHFFFAOYSA-N |
| Molecular Weight |
412.464 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7307 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10222771; Lab Info: PE; Lab Number: PE-0790263 |
![benzoic acid, 4-[4-(2-amino-2-oxoethyl)-5-oxo-3-(3-pyridinylmethyl)-2-thioxo-1-imidazolidinyl]-, ethyl ester](/api/spectrum/4MKksJZOnoI/structure.png?h=300&w=458 "benzoic acid, 4-[4-(2-amino-2-oxoethyl)-5-oxo-3-(3-pyridinylmethyl)-2-thioxo-1-imidazolidinyl]-, ethyl ester")
