| SpectraBase Spectrum ID |
Ip29x7cd3jK |
| Name |
Ethyl (R)-6-isopropyl-3-methyl-2-(((trifluoromethyl)sulfonyl)oxy)cyclohexa-1,3-diene-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19F3O5S |
| InChI |
InChI=1S/C14H19F3O5S/c1-5-21-13(18)11-10(8(2)3)7-6-9(4)12(11)22-23(19,20)14(15,16)17/h6,8,10H,5,7H2,1-4H3/t10-/m1/s1 |
| InChIKey |
NYZLNMQVGZUQQO-SNVBAGLBSA-N |
| Instrument Name |
Agilent 6890 and Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.222 |
| Molecular Weight |
356.356 g/mol |
| Optical Rotation |
[a]D22 = -3.3 (c = 1.0, CHCl3) |
| Reported Formula |
C14H19F3O5S |
| SMILES |
C1=C(C(=C([C@](C1)(C(C)C)[H])C(=O)OCC)OS(C(F)(F)F)(=O)=O)C |
| SPLASH |
splash10-000x-9641000000-4154797635e845f07b73 |
| Source of Spectrum |
BJO-14-SM3-11 |
| Thin-Layer Chromatography |
Rf = 0.40 (petroleum ether/EtOAc, 20:1) |
| Wiley ID |
1845718 |
