| SpectraBase Spectrum ID |
EeDSCjr5jH1 |
| Name |
benzoic acid, 4-[3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C33H35ClFN5O4S/c1-2-44-32(43)23-7-13-27(14-8-23)40-31(42)29(22-30(41)36-26-11-9-25(35)10-12-26)39(33(40)45)16-4-15-37-17-19-38(20-18-37)28-6-3-5-24(34)21-28/h3,5-14,21,29H,2,4,15-20,22H2,1H3,(H,36,41) |
| InChIKey |
TXZUBJCYGZJXDA-UHFFFAOYSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_CB3_9000_4852 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: NMR/12218243 |
![benzoic acid, 4-[3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester](/api/spectrum/EeDSCjr5jH1/structure.png?h=300&w=458 "benzoic acid, 4-[3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl ester")
