| SpectraBase Spectrum ID |
ErkZ3k8XiTf |
| Name |
2-hexyl-3-methylensuccinic acid |
| Alternate Name(s) |
(-)-Hexylitaconic acid |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H18O4 |
| InChI |
InChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15) |
| InChIKey |
HKMDCNSGDQBQLI-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np034061x |
| Molecular Weight |
214.261 g/mol |
| Optical Rotation |
[a]D23 = -17.9 (c = 0.5, MeOH) |
| SMILES |
OC(C(C(C(O)=O)=C)CCCCCC)=O |
| SPLASH |
splash10-02vi-0900000000-ae5a1bd5210c7c4e30c0 |
| Source of Spectrum |
G4-67-1062-4 |
| Wiley ID |
1884026 |
