| SpectraBase Spectrum ID |
FQNGZ9NWEeg |
| Name |
(R,E)-5-(tert-Butylsulfonyl)-5-methylhept-3-ene |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.149701185 u |
| Formula |
C12H24O2S |
| GC Column |
DB-5 (30 m x 0.32 mm) |
| InChI |
InChI=1S/C12H24O2S/c1-7-9-10-12(6,8-2)15(13,14)11(3,4)5/h9-10H,7-8H2,1-6H3/b10-9+/t12-/m1/s1 |
| InChIKey |
XRMZNLBUKRBBFM-BZYZDCJZSA-N |
| Instrument Name |
Varian Model 3700, Varian MAT 112 S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503123 |
| Molecular Weight |
232.382 g/mol |
| Optical Rotation |
[a]D = -13.4 (c = 3.01, THF) |
| Quality |
91 |
| SMILES |
C([C@](S(C(C)(C)C)(=O)=O)(C)\C=C\CC)C |
| SPLASH |
splash10-03di-0900000000-b65bd657f0a0acdf6461 |
| Sample Comments |
30% ee |
| Source of Spectrum |
QE-21-SM5-(R)-41 (DOI: 10.1002/chem.201503123) |
| Wiley ID |
1907403 |
