| SpectraBase Spectrum ID |
5VeSFGr4TLv |
| Name |
(R,Z)-2-(4-Bromophenyl)hept-4-en-2-ol |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.046278166 u |
| Formula |
C13H17BrO |
| InChI |
InChI=1S/C13H17BrO/c1-3-4-5-10-13(2,15)11-6-8-12(14)9-7-11/h4-9,15H,3,10H2,1-2H3/b5-4-/t13-/m1/s1 |
| InChIKey |
WOENMCOHIFPBBR-DSYXLKISSA-N |
| Instrument Name |
Applied Biosystems/MDS SCIEXQ Model Trap 4000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201701740 |
| Molecular Weight |
269.182 g/mol |
| Optical Rotation |
[a]D20 = +23 (c = 1.00, CHCl3) |
| Quality |
186 |
| SMILES |
O[C@@](C1=CC=C(Br)C=C1)(C\C=C/CC)C |
| SPLASH |
splash10-0002-0900000000-9e1fda4203b4d09e507a |
| Sample Comments |
E/Z = 22:78, er = 99:1 |
| Source of Spectrum |
QE-23-SM36-(Z)-11e (DOI: 10.1002/chem.201701740) |
| Thin-Layer Chromatography |
0.21 (n-pentane/diethyl ether, 90:10) |
| Wiley ID |
1907836 |
