| SpectraBase Spectrum ID |
6TqnzWeQutO |
| Name |
(3S,1'S,2'S)-1-o-Acetyl-3-methyl-3-(1'-phenyl-2'-trifluoroacetamido-1'-propoxy)hex-5-en-1-ol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.181392806 u |
| Formula |
C20H26F3NO4 |
| InChI |
InChI=1S/C20H26F3NO4/c1-5-11-19(4,12-13-27-15(3)25)28-17(16-9-7-6-8-10-16)14(2)24-18(26)20(21,22)23/h5-10,14,17H,1,11-13H2,2-4H3,(H,24,26)/t14-,17+,19-/m0/s1 |
| InChIKey |
ZRHISUAAARRJPK-YJLNNSPDSA-N |
| Molecular Weight |
401.426 g/mol |
| SMILES |
C(C(N[C@]([C@@](O[C@](CCOC(=O)C)(CC=C)C)(C1=CC=CC=C1)[H])(C)[H])=O)(F)(F)F |
