| SpectraBase Spectrum ID |
54cKNOemA2r |
| Name |
(+)-(3R)-mosher'S ester of (-)-3-(4-methoxyphenyl)pent-4-en-1-ol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.154843706 u |
| Formula |
C22H23F3O4 |
| InChI |
InChI=1S/C22H23F3O4/c1-4-16(17-10-12-19(27-2)13-11-17)14-15-29-20(26)21(28-3,22(23,24)25)18-8-6-5-7-9-18/h4-13,16H,1,14-15H2,2-3H3/t16-,21?/m0/s1 |
| InChIKey |
XMZWJOVKVGKMSO-BJQOMGFOSA-N |
| Molecular Weight |
408.417 g/mol |
| SMILES |
C(C(F)(F)F)(C(=O)OCC[C@@](C1=CC=C(C=C1)OC)(C=C)[H])(C1=CC=CC=C1)OC |
