| SpectraBase Spectrum ID |
1sqs6h55fBI |
| Name |
4(S)-[.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetoxy]-2,3-(isopropylidenedioxy)heptaan-1-ol isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27F3O6 |
| InChI |
InChI=1S/C20H27F3O6/c1-5-9-14(16-15(12-24)28-18(2,3)29-16)27-17(25)19(26-4,20(21,22)23)13-10-7-6-8-11-13/h6-8,10-11,14-16,24H,5,9,12H2,1-4H3/t14-,15?,16?,19?/m0/s1 |
| InChIKey |
SERISMCVQSTTEE-DKWICNMVSA-N |
| Molecular Weight |
420.425 g/mol |
| SMILES |
OCC1OC(OC1[C@@](OC(C(C(F)(F)F)(c1ccccc1)OC)=O)(CCC)[H])(C)C |
| SPLASH |
splash10-0a4i-0004900000-92a55af864f1a3039919 |
| Source of Spectrum |
J-65-3440-18 |
| Wiley ID |
1532321 |
![4(S)-[.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetoxy]-2,3-(isopropylidenedioxy)heptaan-1-ol isomer](/api/spectrum/1sqs6h55fBI/structure.png?h=300&w=458 "4(S)-[.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetoxy]-2,3-(isopropylidenedioxy)heptaan-1-ol isomer")
