| SpectraBase Spectrum ID |
4xNJrnvPaAe |
| Name |
Pentafluoropropionyl derivative of 3-trideuteromethoxy-4-hydroxy-phenylethylene glycol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H6D3F15O7 |
| InChI |
InChI=1S/C18H9F15O7/c1-37-8-4-6(2-3-7(8)39-11(35)14(21,22)17(28,29)30)9(40-12(36)15(23,24)18(31,32)33)5-38-10(34)13(19,20)16(25,26)27/h2-4,9H,5H2,1H3/i1D3 |
| InChIKey |
IBBPTMDXVHITSG-FIBGUPNXSA-N |
| Molecular Weight |
625.257 g/mol |
| SMILES |
C(C(OC(c1cc(OC([2D])([2D])[2D])c(OC(C(C(F)(F)F)(F)F)=O)cc1)COC(C(C(F)(F)F)(F)F)=O)=O)(C(F)(F)F)(F)F |
| SPLASH |
splash10-02ta-0006900000-812a367c850c0426426c |
| Source of Spectrum |
KO-2-185-5 |
| Wiley ID |
1411629 |
