| SpectraBase Spectrum ID |
LWXdPAPqToc |
| Name |
(R)-2-Formyl-3-isopropyl-6-methylcyclohexa-1,5-dien-1-yl trifluoromethanesulfonate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H15F3O4S |
| InChI |
InChI=1S/C12H15F3O4S/c1-7(2)9-5-4-8(3)11(10(9)6-16)19-20(17,18)12(13,14)15/h4,6-7,9H,5H2,1-3H3/t9-/m1/s1 |
| InChIKey |
LSHMBDMHQJVNSH-SECBINFHSA-N |
| Instrument Name |
Agilent 6890 and Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.14.222 |
| Molecular Weight |
312.303 g/mol |
| Optical Rotation |
[a]D23 = -2.3 (c = 0.9, CHCl3) |
| Reported Formula |
C12H15F3O4S |
| SMILES |
C1=C(C(=C([C@](C1)(C(C)C)[H])C=O)OS(C(F)(F)F)(=O)=O)C |
| SPLASH |
splash10-05mo-9610000000-766be363977330e3a6bd |
| Source of Spectrum |
BJO-14-SM4-15 |
| Thin-Layer Chromatography |
Rf = 0.42 (petroleum ether/EtOAc, 20:1) |
| Wiley ID |
1845720 |
