| SpectraBase Spectrum ID |
3smBzvdY45t |
| Name |
3-pyridinecarbonitrile, 2-[[2-[4-[[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]acetyl]phenyl]-2-oxoethyl]thio]-6-(2-methylpropyl)- |
| 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/c1-19(2)13-25-11-9-23(15-31)29(33-25)37-17-27(35)21-5-7-22(8-6-21)28(36)18-38-30-24(16-32)10-12-26(34-30)14-20(3)4/h5-12,19-20H,13-14,17-18H2,1-4H3 |
| InChIKey |
YQPQLQSXGXWKFC-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_1374 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/7132309; Lab Info: XXX; Lab Number: X |
| Temperature |
29.85 °C |
![3-pyridinecarbonitrile, 2-[[2-[4-[[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]acetyl]phenyl]-2-oxoethyl]thio]-6-(2-methylpropyl)-](/api/spectrum/3smBzvdY45t/structure.png?h=300&w=458 "3-pyridinecarbonitrile, 2-[[2-[4-[[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]acetyl]phenyl]-2-oxoethyl]thio]-6-(2-methylpropyl)-")
