| SpectraBase Spectrum ID |
9d97Z9HxIFF |
| Name |
(Sa)-methyl 2-(4-chlorobutyl)-4-phenyl-2,3-butadienoate |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.091707485 u |
| Formula |
C15H17ClO2 |
| InChI |
InChI=1S/C15H17ClO2/c1-18-15(17)14(9-5-6-12-16)11-10-13-7-3-2-4-8-13/h2-4,7-8,10H,5-6,9,12H2,1H3 |
| InChIKey |
LPQOYEWFBLHKLS-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701194 |
| Molecular Weight |
264.752 g/mol |
| Optical Rotation |
[a]D19 = +11.9 (c = 2.00, CHCl3) |
| Quality |
7 |
| Reported Formula |
C15H17O2(35)Cl |
| SMILES |
C(=[C@@]=C(CCCCCl)C(=O)OC)(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-004i-0900000000-73ec60ea1131e1a25937 |
| Sample Comments |
97% ee |
| Source of Spectrum |
QE-23-SM24-(Sa)-2n, zwl-4-167 (DOI: 10.1002/chem.201701194) |
| Wiley ID |
1907823 |
