| SpectraBase Spectrum ID |
2g2yvhmIlo8 |
| Name |
1,3-dimethyl 5-(4-chloro-3-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}benzenesulfonamido)benzene-1,3-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 |
544.070714510 u |
| Formula |
C25H21ClN2O8S |
| InChI |
InChI=1S/C25H21ClN2O8S/c1-35-24(31)14-8-15(25(32)36-2)10-16(9-14)27-37(33,34)17-5-6-18(26)19(11-17)28-22(29)20-12-3-4-13(7-12)21(20)23(28)30/h3-6,8-13,20-21,27H,7H2,1-2H3/t12-,13+,20+,21- |
| InChIKey |
SZBULODHCSDODM-NOKWSWOQSA-N |
| Molecular Weight |
544.962 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_403 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/8266138; Lab Info: KWN; Lab Number: KWN-0002358 |
| Temperature |
29.85 °C |
![1,3-dimethyl 5-(4-chloro-3-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}benzenesulfonamido)benzene-1,3-dicarboxylate](/api/spectrum/2g2yvhmIlo8/structure.png?h=300&w=458 "1,3-dimethyl 5-(4-chloro-3-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}benzenesulfonamido)benzene-1,3-dicarboxylate")
