SpectraBase Spectrum ID |
EPnEY0K7u8h |
Name |
1,4-benzenedicarboxylic acid, 2-[[[(2-phenylethyl)(phenylmethyl)amino]carbonothioyl]amino]-, dimethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
462.161328495 u |
Formula |
C26H26N2O4S |
InChI |
InChI=1S/C26H26N2O4S/c1-31-24(29)21-13-14-22(25(30)32-2)23(17-21)27-26(33)28(18-20-11-7-4-8-12-20)16-15-19-9-5-3-6-10-19/h3-14,17H,15-16,18H2,1-2H3,(H,27,33) |
InChIKey |
ONAVGQXTMOSQST-UHFFFAOYSA-N |
Molecular Weight |
462.564 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_1011 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13239595 |