| SpectraBase Spectrum ID |
7LirBAki14t |
| Name |
ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-3-oxo-6-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[3,4-c]pyrrol-2-yl}benzoate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.120191957 u |
| Formula |
C26H21N3O5S |
| InChI |
InChI=1S/C26H21N3O5S/c1-3-34-26(32)17-10-12-18(13-11-17)29-23(15-6-8-16(9-7-15)25(31)33-2)20-21(19-5-4-14-35-19)27-28-22(20)24(29)30/h4-14,23H,3H2,1-2H3,(H,27,28) |
| InChIKey |
ZEGHWSCMDUFNCS-UHFFFAOYSA-N |
| Molecular Weight |
487.530 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_7416 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13308194 |
![ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-3-oxo-6-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[3,4-c]pyrrol-2-yl}benzoate](/api/spectrum/7LirBAki14t/structure.png?h=300&w=458 "ethyl 4-{1-[4-(methoxycarbonyl)phenyl]-3-oxo-6-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[3,4-c]pyrrol-2-yl}benzoate")
