| SpectraBase Spectrum ID |
GRJJUpuzQP5 |
| Name |
Pentafluoropropionyl derivative of 3-methoxy-4-hydroxy-phenylethanol-D2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H8D2F10O5 |
| InChI |
InChI=1S/C15H10F10O5/c1-28-9-6-7(4-5-29-10(26)12(16,17)14(20,21)22)2-3-8(9)30-11(27)13(18,19)15(23,24)25/h2-3,6H,4-5H2,1H3/i4D2 |
| InChIKey |
QCJXUZRMQZNOCY-APZFVMQVSA-N |
| Molecular Weight |
462.236 g/mol |
| SMILES |
C(C(Oc1c(cc(cc1)C(COC(C(C(F)(F)F)(F)F)=O)([2D])[2D])OC)=O)(C(F)(F)F)(F)F |
| SPLASH |
splash10-0002-0090200000-94a842ef8f4b73dfd2df |
| Source of Spectrum |
KO-2-185-6 |
| Wiley ID |
1390336 |
