8-(4-Sulfophenyl) octanoic acid
3058
Reference
8-(4-Sulfophenyl) octanoic acid Structure
Systematic / IUPAC Name: 8-(4-Sulfophenyl)octanoic acid
ID: Reference3058
Other Names:
8phiC8SPC ;
Benzeneoctanoic acid, 4-sulfo-
Formula: C14H20O5S
Spectral Data
8-(4-Sulfophenyl) octanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 134 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/29/2015 8:44:36 AM |
Identificators
| InChI | InChI=1S/C14H20O5S/c15-14(16)7-5-3-1-2-4-6-12-8-10-13(11-9-12)20(17,18)19/h8-11H,1-7H2,(H,15,16)(H,17,18,19) |
| InChI Key | KCKCVKAROJRVBA-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC=C1CCCCCCCC(=O)O)S(=O)(=O)O |
| CAS | |
| Splash | |
| Other Names |
8phiC8SPC ; Benzeneoctanoic acid, 4-sulfo- |