| SpectraBase Spectrum ID |
7xxbiI5bEgy |
| Name |
Methyl ester, pentafluoropropionyl derivative of vanilmandelic acid-D3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H7D3F10O7 |
| InChI |
InChI=1S/C16H10F10O7/c1-30-8-5-6(3-4-7(8)32-11(28)13(17,18)15(21,22)23)9(10(27)31-2)33-12(29)14(19,20)16(24,25)26/h3-5,9H,1-2H3/i3D,4D,5D |
| InChIKey |
NLGXQXMWPNVCSU-QGZYMEECSA-N |
| Molecular Weight |
507.251 g/mol |
| SMILES |
C(C(OC(c1c(c(c(OC(C(C(F)(F)F)(F)F)=O)c(c1[2D])[2D])OC)[2D])C(=O)OC)=O)(C(F)(F)F)(F)F |
| SPLASH |
splash10-0002-0001910000-9b7c07b12a93dcd70546 |
| Source of Spectrum |
KO-2-184-1 |
| Wiley ID |
1399446 |
