SpectraBase Spectrum ID |
IEHMoH2bI1K |
Name |
2-propenenitrile, 3-[(3,5-dimethylphenyl)amino]-3-[[(3-fluorophenyl)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 |
452.102848433 u |
Formula |
C24H21FN2O2S2 |
InChI |
InChI=1S/C24H21FN2O2S2/c1-17-11-18(2)13-21(12-17)27-24(30-16-19-7-6-8-20(25)14-19)23(15-26)31(28,29)22-9-4-3-5-10-22/h3-14,27H,16H2,1-2H3/b24-23+ |
InChIKey |
RWIGPGGZGJJLIP-WCWDXBQESA-N |
Molecular Weight |
452.562 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4425 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13288034 |