| SpectraBase Spectrum ID |
5DbRVwJXKy |
| Name |
tert-Butyl (S)-2-[(S)-4-(diisopropoxyphosphoryl)-4-oxobutan-2-yl]-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate |
| Appearance |
Yellow wax |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.191639365 u |
| Formula |
C19H32NO7P |
| InChI |
InChI=1S/C19H32NO7P/c1-12(2)26-28(24,27-13(3)4)17(22)11-14(5)15-9-10-16(21)20(15)18(23)25-19(6,7)8/h9-10,12-15H,11H2,1-8H3/t14-,15+/m0/s1 |
| InChIKey |
MTZLBJBOXCXJFH-LSDHHAIUSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201500861 |
| Molecular Weight |
417.439 g/mol |
| Optical Rotation |
[a]D = 101.8 (c = 0.28, CHCl3) |
| Quality |
93 |
| Reported Formula |
C19H32NO7P |
| SMILES |
C1(C=C[C@@](N1C(=O)OC(C)(C)C)([C@@](C)(CC(P(OC(C)C)(OC(C)C)=O)=O)[H])[H])=O |
| SPLASH |
splash10-0900-4900000000-88cd7278f29dce33f1a8 |
| Sample Comments |
75% de; 90% ee (anti-3j); 7% ee (syn-3j) |
| Source of Spectrum |
QE-21-SM9-3j (DOI: 10.1002/chem.201500861) |
| Wiley ID |
1906542 |
![tert-Butyl (S)-2-[(S)-4-(diisopropoxyphosphoryl)-4-oxobutan-2-yl]-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate](/api/spectrum/5DbRVwJXKy/structure.png?h=300&w=458 "tert-Butyl (S)-2-[(S)-4-(diisopropoxyphosphoryl)-4-oxobutan-2-yl]-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate")
