| SpectraBase Spectrum ID |
Jgzi31lzTa7 |
| Name |
Methyl (S)-[2-(1,1-Dimethyl)ethyl]-5-phenylpent-4-enoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-16(2,3)14(15(17)18-4)12-8-11-13-9-6-5-7-10-13/h5-11,14H,12H2,1-4H3/t14-/m1/s1 |
| InChIKey |
BMHQSEIOPCJTKT-CQSZACIVSA-N |
| Instrument Name |
ThermoFinnigan Trace GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201900822 |
| Molecular Weight |
246.350 g/mol |
| Optical Rotation |
[a]D24 = +27.5 (CHCl3, c = 1) |
| Quality |
158 |
| Reported Formula |
C16H22O2 |
| SMILES |
C([C@@](C(C)(C)C)(C(OC)=O)[H])C=CC1=CC=CC=C1 |
| SPLASH |
splash10-0ap0-1900000000-3c35b4188c0b2cf00f35 |
| Sample Comments |
79% ee |
| Source of Spectrum |
K1-2019-SM4-(S)-5e (DOI: 10.1002/ejoc.201900822) |
| Thin-Layer Chromatography |
0.8 (n-pentane/diethyl ether, 9:1) |
| Wiley ID |
1891963 |
![Methyl (S)-[2-(1,1-Dimethyl)ethyl]-5-phenylpent-4-enoate](/api/spectrum/Jgzi31lzTa7/structure.png?h=300&w=458 "Methyl (S)-[2-(1,1-Dimethyl)ethyl]-5-phenylpent-4-enoate")
