| SpectraBase Spectrum ID |
DCBLEn1o5az |
| Name |
(S)-Mtpa(2-methoxy-2-(trifluoromethyl)-2-phenylacetyl)-ester of (2S,3R)-3-hydroxy-2-methyldecanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.212358582 u |
| Formula |
C22H31F3O5 |
| InChI |
InChI=1S/C22H31F3O5/c1-5-6-7-8-12-15-18(16(2)19(26)28-3)30-20(27)21(29-4,22(23,24)25)17-13-10-9-11-14-17/h9-11,13-14,16,18H,5-8,12,15H2,1-4H3/t16-,18+,21-/m0/s1 |
| InChIKey |
CFOPTDWDSXIVQN-CDXJDZJCSA-N |
| Molecular Weight |
432.480 g/mol |
| SMILES |
[C@](C(O[C@@]([C@@](C(=O)OC)(C)[H])(CCCCCCC)[H])=O)(C(F)(F)F)(C=1C=CC=CC1)OC |
