| SpectraBase Spectrum ID |
2CdPYYhsK8 |
| Name |
Diisopropyl [(S)-3-((S)-5-oxo-2,5-dihydrofuran-2-yl)hexanoyl]phosphonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.154525581 u |
| Formula |
C16H27O6P |
| InChI |
InChI=1S/C16H27O6P/c1-6-7-13(14-8-9-15(17)20-14)10-16(18)23(19,21-11(2)3)22-12(4)5/h8-9,11-14H,6-7,10H2,1-5H3/t13-,14+/m0/s1 |
| InChIKey |
UOABGDGETQQPJM-UONOGXRCSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201500861 |
| Molecular Weight |
346.360 g/mol |
| Optical Rotation |
[a]D = 79.2 (c = 0.25, CHCl3) |
| Quality |
63 |
| Reported Formula |
C16H27O6P |
| SMILES |
C1(C=C[C@@](O1)([C@@](CCC)(CC(P(OC(C)C)(OC(C)C)=O)=O)[H])[H])=O |
| SPLASH |
splash10-01pk-1936000000-d9a5dfe3896e8c3c6889 |
| Sample Comments |
95% de; 98% ee |
| Source of Spectrum |
QE-21-SM7-3f (DOI: 10.1002/chem.201500861) |
| Wiley ID |
1906538 |
![Diisopropyl [(S)-3-((S)-5-oxo-2,5-dihydrofuran-2-yl)hexanoyl]phosphonate](/api/spectrum/2CdPYYhsK8/structure.png?h=300&w=458 "Diisopropyl [(S)-3-((S)-5-oxo-2,5-dihydrofuran-2-yl)hexanoyl]phosphonate")
