| SpectraBase Spectrum ID |
BUZkmnhA2Fn |
| Name |
Ethyl (1S)-(4-acetylphenyl)-2,2-dimethylcyclopropane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.141244501 u |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-5-19-14(18)16(10-15(16,3)4)13-8-6-12(7-9-13)11(2)17/h6-9H,5,10H2,1-4H3/t16-/m0/s1 |
| InChIKey |
DWDSZYMSOPMXKN-INIZCTEOSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
260.333 g/mol |
| Optical Rotation |
[a]D20 = -70.4 (c = 1.0, CHCl3) |
| Quality |
342 |
| SMILES |
[C@]1(C(C1)(C)C)(C1=CC=C(C=C1)C(=O)C)C(OCC)=O |
| SPLASH |
splash10-01ox-1940000000-68e33f500f65a63451d6 |
| Sample Comments |
97% ee |
| Source of Spectrum |
C-144-SM48-3xc (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910638 |
