![benzoic acid, 4-[[[1-(3-methoxyphenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-,](/api/spectrum/5aXef6VXDB2/structure.png?h=300&w=458 "benzoic acid, 4-[[[1-(3-methoxyphenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-,")
| SpectraBase Compound ID | qAq4DDUrwc |
|---|---|
| InChI | InChI=1S/C35H41N5O5S/c1-3-45-34(43)27-13-15-28(16-14-27)36-32(41)24-31-33(42)40(29-11-7-12-30(23-29)44-2)35(46)39(31)18-8-17-37-19-21-38(22-20-37)25-26-9-5-4-6-10-26/h4-7,9-16,23,31H,3,8,17-22,24-25H2,1-2H3,(H,36,41) |
| InChIKey | JHQIALRVKWPAGN-UHFFFAOYSA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C35H41N5O5S |
| Exact Mass | 643.282841 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 5aXef6VXDB2 |
|---|---|
| Name | benzoic acid, 4-[[[1-(3-methoxyphenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 643.282840609 u |
| Formula | C35H41N5O5S |
| InChI | InChI=1S/C35H41N5O5S/c1-3-45-34(43)27-13-15-28(16-14-27)36-32(41)24-31-33(42)40(29-11-7-12-30(23-29)44-2)35(46)39(31)18-8-17-37-19-21-38(22-20-37)25-26-9-5-4-6-10-26/h4-7,9-16,23,31H,3,8,17-22,24-25H2,1-2H3,(H,36,41) |
| InChIKey | JHQIALRVKWPAGN-UHFFFAOYSA-N |
| Molecular Weight | 643.803 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_465 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13238941 |