| SpectraBase Spectrum ID |
FSqAU2n66dT |
| Name |
Methyl 2-[3'.alpha.-(2-(methoxycarbonyl)ethyl)-4'.beta.-methoxycarbonylmethyl-4'.alpha.-methyl-5'-oxopyrrolidin-2'-ylidene]methyl-3,3-dimethyl-5-oxo-1-pyrroline-4.alpha.-propionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.215865990 u |
| Formula |
C23H32N2O8 |
| InChI |
InChI=1S/C23H32N2O8/c1-22(2)14(8-10-18(27)32-5)20(29)25-16(22)11-15-13(7-9-17(26)31-4)23(3,21(30)24-15)12-19(28)33-6/h11,13-14H,7-10,12H2,1-6H3,(H,24,30)/b15-11-/t13-,14+,23+/m0/s1 |
| InChIKey |
IPJZMTQMYOQSFK-KMXQGBGNSA-N |
| Molecular Weight |
464.515 g/mol |
| SMILES |
C1(N\C([C@@]([C@]1(CC(=O)OC)C)(CCC(=O)OC)[H])=C\C1=NC(=O)[C@](C1(C)C)(CCC(=O)OC)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984522 |
![Methyl 2-[3'.alpha.-(2-(methoxycarbonyl)ethyl)-4'.beta.-methoxycarbonylmethyl-4'.alpha.-methyl-5'-oxopyrrolidin-2'-ylidene]methyl-3,3-dimethyl-5-oxo-1-pyrroline-4.alpha.-propionate](/api/spectrum/FSqAU2n66dT/structure.png?h=300&w=458 "Methyl 2-[3'.alpha.-(2-(methoxycarbonyl)ethyl)-4'.beta.-methoxycarbonylmethyl-4'.alpha.-methyl-5'-oxopyrrolidin-2'-ylidene]methyl-3,3-dimethyl-5-oxo-1-pyrroline-4.alpha.-propionate")
