![benzoic acid, 4-[4-[2-[[4-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl]-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-1-](/api/spectrum/3VOhymClgFI/structure.png?h=300&w=458 "benzoic acid, 4-[4-[2-[[4-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl]-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-1-")
| SpectraBase Compound ID | 6qdGbHLw93D |
|---|---|
| InChI | InChI=1S/C37H43N5O6S/c1-3-47-35(45)28-11-15-30(16-12-28)38-33(43)25-32-34(44)42(31-17-13-29(14-18-31)36(46)48-4-2)37(49)41(32)20-8-19-39-21-23-40(24-22-39)26-27-9-6-5-7-10-27/h5-7,9-18,32H,3-4,8,19-26H2,1-2H3,(H,38,43) |
| InChIKey | IDZIMMNGKPYCRB-UHFFFAOYSA-N |
| Mol Weight | 685.8 g/mol |
| Molecular Formula | C37H43N5O6S |
| Exact Mass | 685.293405 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 3VOhymClgFI |
|---|---|
| Name | benzoic acid, 4-[4-[2-[[4-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl]-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-1- |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 685.293405293 u |
| Formula | C37H43N5O6S |
| InChI | InChI=1S/C37H43N5O6S/c1-3-47-35(45)28-11-15-30(16-12-28)38-33(43)25-32-34(44)42(31-17-13-29(14-18-31)36(46)48-4-2)37(49)41(32)20-8-19-39-21-23-40(24-22-39)26-27-9-6-5-7-10-27/h5-7,9-18,32H,3-4,8,19-26H2,1-2H3,(H,38,43) |
| InChIKey | IDZIMMNGKPYCRB-UHFFFAOYSA-N |
| Molecular Weight | 685.840 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_464 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13238940 |