| SpectraBase Spectrum ID |
1ElaMU1DvL9 |
| Name |
3-pyridinecarbonitrile, 6-butyl-2-[[2-[4-[[(6-butyl-3-cyano-2-pyridinyl)thio]acetyl]phenyl]-2-oxoethyl]thio]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.181018568 u |
| Formula |
C30H30N4O2S2 |
| InChI |
InChI=1S/C30H30N4O2S2/c1-3-5-7-25-15-13-23(17-31)29(33-25)37-19-27(35)21-9-11-22(12-10-21)28(36)20-38-30-24(18-32)14-16-26(34-30)8-6-4-2/h9-16H,3-8,19-20H2,1-2H3 |
| InChIKey |
FCSALFQRSIOYLG-UHFFFAOYSA-N |
| Molecular Weight |
542.716 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1415 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/7132553; Lab Info: XXX; Lab Number: X |
| Temperature |
29.85 °C |
![3-pyridinecarbonitrile, 6-butyl-2-[[2-[4-[[(6-butyl-3-cyano-2-pyridinyl)thio]acetyl]phenyl]-2-oxoethyl]thio]-](/api/spectrum/1ElaMU1DvL9/structure.png?h=300&w=458 "3-pyridinecarbonitrile, 6-butyl-2-[[2-[4-[[(6-butyl-3-cyano-2-pyridinyl)thio]acetyl]phenyl]-2-oxoethyl]thio]-")
