| SpectraBase Spectrum ID |
B1UotNsIcJ0 |
| Name |
(Ra)-methyl 2-butyl-4-(3-chlorophenyl)-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/c1-3-4-7-13(15(17)18-2)10-9-12-6-5-8-14(16)11-12/h5-6,8-9,11H,3-4,7H2,1-2H3 |
| InChIKey |
YFCUTIDHYUICGE-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701194 |
| Molecular Weight |
264.752 g/mol |
| Optical Rotation |
[a]D23 = -46.5 (c = 1.12, CHCl3) |
| Quality |
2 |
| Reported Formula |
C15H17O2(35)Cl |
| SMILES |
C1=CC=C(C=C1Cl)C(=[C@]=C(CCCC)C(=O)OC)[H] |
| SPLASH |
splash10-03di-0900000000-cc0d5c1cc7b5db1245e2 |
| Sample Comments |
97% ee |
| Source of Spectrum |
QE-23-SM6-(Ra)-2f, zwl-4-94 (DOI: 10.1002/chem.201701194) |
| Wiley ID |
1907821 |
