SpectraBase Spectrum ID |
HqpOcC0OiC2 |
Name |
1,4-dimethyl 2-(2-{[1,4'-bipiperidin]-1'-yl}-2-sulfanylideneethyl)benzene-1,4-dicarboxylate |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
419.187877596 u |
Formula |
C21H29N3O4S |
InChI |
InChI=1S/C21H29N3O4S/c1-27-19(25)15-6-7-17(20(26)28-2)18(14-15)22-21(29)24-12-8-16(9-13-24)23-10-4-3-5-11-23/h6-7,14,16H,3-5,8-13H2,1-2H3,(H,22,29) |
InChIKey |
AYTMKYBSKAJECD-UHFFFAOYSA-N |
Molecular Weight |
419.540 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_816 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13239251 |