| SpectraBase Spectrum ID |
KTUIoFgsPcy |
| Name |
1,3-dimethyl 5-[(3-{3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl}-4-(morpholin-4-yl)benzenesulfonyl)methyl]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 |
595.162450691 u |
| Formula |
C29H29N3O9S |
| InChI |
InChI=1S/C29H29N3O9S/c1-39-28(35)18-12-19(29(36)40-2)14-20(13-18)30-42(37,38)21-5-6-22(31-7-9-41-10-8-31)23(15-21)32-26(33)24-16-3-4-17(11-16)25(24)27(32)34/h3-6,12-17,24-25,30H,7-11H2,1-2H3 |
| InChIKey |
OXOSAOPQRJDHME-UHFFFAOYSA-N |
| Molecular Weight |
595.623 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9409 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/9068411; Lab Info: KWN; Lab Number: KWN-0003523 |
![1,3-dimethyl 5-[(3-{3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl}-4-(morpholin-4-yl)benzenesulfonyl)methyl]benzene-1,3-dicarboxylate](/api/spectrum/KTUIoFgsPcy/structure.png?h=300&w=458 "1,3-dimethyl 5-[(3-{3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl}-4-(morpholin-4-yl)benzenesulfonyl)methyl]benzene-1,3-dicarboxylate")
