| SpectraBase Spectrum ID |
J33AhtisNmI |
| Name |
4-chloro-9-methyl-10-{4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-11-one |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
547.162246652 u |
| Formula |
C28H26ClN5O5 |
| InChI |
InChI=1S/C28H26ClN5O5/c1-28-17-24(23-16-19(29)4-11-25(23)39-28)30-27(36)33(28)21-5-2-18(3-6-21)26(35)32-14-12-31(13-15-32)20-7-9-22(10-8-20)34(37)38/h2-11,16,24H,12-15,17H2,1H3,(H,30,36) |
| InChIKey |
JZYMFTQPMYPITM-UHFFFAOYSA-N |
| Molecular Weight |
547.999 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9974 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13238155 |
![4-chloro-9-methyl-10-{4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-11-one](/api/spectrum/J33AhtisNmI/structure.png?h=300&w=458 "4-chloro-9-methyl-10-{4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl}-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-11-one")
