| SpectraBase Spectrum ID |
L9Ykd7C4Dpx |
| Name |
(S)-2-[2-(4-bromophenyl)prop-1-enylidene]hexadecanoic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.197693429 u |
| Formula |
C25H37BrO2 |
| InChI |
InChI=1S/C25H37BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23(25(27)28)20-21(2)22-16-18-24(26)19-17-22/h16-19H,3-15H2,1-2H3,(H,27,28) |
| InChIKey |
XZQDFLZJLQMBRG-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
449.473 g/mol |
| Optical Rotation |
[a]D25 = -3.4 (c = 1.04, CHCl3) |
| Quality |
3 |
| SMILES |
OC(C(=C=C(C)C1=CC=C(C=C1)Br)CCCCCCCCCCCCCC)=O |
| SPLASH |
splash10-0006-0900000000-e72a03dfd55433c4c545 |
| Sample Comments |
92% ee |
| Source of Spectrum |
CN114835541A |
| Wiley ID |
1892678 |
![(S)-2-[2-(4-bromophenyl)prop-1-enylidene]hexadecanoic acid](/api/spectrum/L9Ykd7C4Dpx/structure.png?h=300&w=458 "(S)-2-[2-(4-bromophenyl)prop-1-enylidene]hexadecanoic acid")
