| SpectraBase Spectrum ID |
KfxTRrPoXrQ |
| Name |
2-propenenitrile, 3-[(3-chlorophenyl)amino]-3-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-2-(phenylsulfonyl)-, (2E)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.104598099 u |
| Formula |
C26H25ClN2O2S2 |
| InChI |
InChI=1S/C26H25ClN2O2S2/c1-26(2,3)20-14-12-19(13-15-20)18-32-25(29-22-9-7-8-21(27)16-22)24(17-28)33(30,31)23-10-5-4-6-11-23/h4-16,29H,18H2,1-3H3/b25-24+ |
| InChIKey |
SOTMFBBMCWCNJG-OCOZRVBESA-N |
| Molecular Weight |
497.071 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_4449 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13288059 |
![2-propenenitrile, 3-[(3-chlorophenyl)amino]-3-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-2-(phenylsulfonyl)-, (2E)-](/api/spectrum/KfxTRrPoXrQ/structure.png?h=300&w=458 "2-propenenitrile, 3-[(3-chlorophenyl)amino]-3-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-2-(phenylsulfonyl)-, (2E)-")
