| SpectraBase Spectrum ID |
4sBYTnHQcq7 |
| Name |
(3S,3aR,6aR)-2-[2-(2-Iodo-phenyl)-ethyl]-5-methyl-4,6-dioxo-3-((E)-styryl)-hexahydro-pyrrolo[3,4-c]pyrazole-1-carboxylic acid methyl ester |
| Alternate Name(s) |
3-[2'-(o-Iodophenyl)ethyl]-2-carbomethoxy-6,8-dioxo-7-methyl-4-styryl-2,3,7-triazabicyclo[3.3.0]octane isomer |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H24IN3O4 |
| InChI |
InChI=1S/C24H24IN3O4/c1-26-22(29)20-19(13-12-16-8-4-3-5-9-16)27(15-14-17-10-6-7-11-18(17)25)28(24(31)32-2)21(20)23(26)30/h3-13,19-21H,14-15H2,1-2H3/b13-12+/t19-,20+,21+/m0/s1 |
| InChIKey |
KTFXXFZMOPYDIL-BDRHDCMESA-N |
| Molecular Weight |
545.377 g/mol |
| SMILES |
[C@@]12(N(N([C@]([C@]2(C(=O)N(C1=O)C)[H])(\C=C\c1ccccc1)[H])CCc1c(I)cccc1)C(=O)OC)[H] |
| SPLASH |
splash10-004i-1719000000-49abcc5361515d298223 |
| Source of Spectrum |
F-59-4462-30 |
| Wiley ID |
1678271 |
![(3S,3aR,6aR)-2-[2-(2-Iodo-phenyl)-ethyl]-5-methyl-4,6-dioxo-3-((E)-styryl)-hexahydro-pyrrolo[3,4-c]pyrazole-1-carboxylic acid methyl ester](/api/spectrum/4sBYTnHQcq7/structure.png?h=300&w=458 "(3S,3aR,6aR)-2-[2-(2-Iodo-phenyl)-ethyl]-5-methyl-4,6-dioxo-3-((E)-styryl)-hexahydro-pyrrolo[3,4-c]pyrazole-1-carboxylic acid methyl ester")
