| SpectraBase Spectrum ID |
1DyhcHu7zKF |
| Name |
anti-(E)-2-methyl-3-phenyl-non-4-enoic acid |
| Appearance |
Liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-3-4-5-9-12-15(13(2)16(17)18)14-10-7-6-8-11-14/h6-13,15H,3-5H2,1-2H3,(H,17,18)/b12-9+/t13-,15+/m0/s1 |
| InChIKey |
GQMNULXPJAGNDA-BUUHPPLQSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201504870 |
| Molecular Weight |
246.350 g/mol |
| Quality |
115 |
| Reported Formula |
C16H22O2 |
| SMILES |
OC([C@]([C@@](\C=C\CCCC)(C1=CC=CC=C1)[H])(C)[H])=O |
| SPLASH |
splash10-014i-9300000000-9e4c81108af5fc85afb1 |
| Sample Comments |
dr = 22:1 |
| Source of Spectrum |
QE-22-SM23-anti-3e (DOI: 10.1002/chem.201504870) |
| Wiley ID |
1903027 |
