| SpectraBase Spectrum ID |
B0eF3qdftkO |
| Name |
[2,2-Dimethyl-7-formyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-yl.alpha.-Methoxy-.alpha.-(trifluoro)methylphenylacetic acid ester ] (S,S)-MTPA ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21F3O6 |
| InChI |
InChI=1S/C22H21F3O6/c1-20(2)18(13-29-16-10-9-14(12-26)11-17(16)31-20)30-19(27)21(28-3,22(23,24)25)15-7-5-4-6-8-15/h4-12,18H,13H2,1-3H3/t18-,21?/m0/s1 |
| InChIKey |
OQIBEWSLBRMTQW-YMXDCFFPSA-N |
| Molecular Weight |
438.399 g/mol |
| SMILES |
C(C(O[C@@]1(C(Oc2cc(C=O)ccc2OC1)(C)C)[H])=O)(C(F)(F)F)(c1ccccc1)OC |
| SPLASH |
splash10-000i-0830900000-51e945c85e31e5f28cc8 |
| Source of Spectrum |
F-55-10115-10 |
| Synonyms |
(3S)-8-formyl-2,2-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate |
| Wiley ID |
838895 |
![[2,2-Dimethyl-7-formyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-yl.alpha.-Methoxy-.alpha.-(trifluoro)methylphenylacetic acid ester ] (S,S)-MTPA ester](/api/spectrum/B0eF3qdftkO/structure.png?h=300&w=458 "[2,2-Dimethyl-7-formyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-yl.alpha.-Methoxy-.alpha.-(trifluoro)methylphenylacetic acid ester ] (S,S)-MTPA ester")
