| SpectraBase Spectrum ID |
4lVeUGqGoVj |
| Name |
1,4-dimethyl 2-({6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-diene-11-carbothioyl}amino)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 |
441.135842022 u |
| Formula |
C22H23N3O5S |
| InChI |
InChI=1S/C22H23N3O5S/c1-29-20(27)14-6-7-16(21(28)30-2)17(9-14)23-22(31)24-10-13-8-15(12-24)18-4-3-5-19(26)25(18)11-13/h3-7,9,13,15H,8,10-12H2,1-2H3,(H,23,31) |
| InChIKey |
YFBMUBWURXPHQP-UHFFFAOYSA-N |
| Molecular Weight |
441.502 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_1356 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13248541 |
![1,4-dimethyl 2-({6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-diene-11-carbothioyl}amino)benzene-1,4-dicarboxylate](/api/spectrum/4lVeUGqGoVj/structure.png?h=300&w=458 "1,4-dimethyl 2-({6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-diene-11-carbothioyl}amino)benzene-1,4-dicarboxylate")
