1-Heptanesulfonic acid
1428
Reference
1-Heptanesulfonic acid Structure
Systematic / IUPAC Name: Heptane-1-sulfonic acid
ID: Reference1428
Other Names: Heptane-1-sulphonic acid
Formula: C7H16O3S
Spectral Data
1-Heptanesulfonic 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 Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 71 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/3/2014 1:45:41 PM |
Identificators
| InChI | InChI=1S/C7H16O3S/c1-2-3-4-5-6-7-11(8,9)10/h2-7H2,1H3,(H,8,9,10) |
| InChI Key | AKRQHOWXVSDJEF-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCS(=O)(=O)O |
| CAS | 22767506 |
| Splash | |
| Other Names | Heptane-1-sulphonic acid |