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Aluminum Sulfate Hexadecahydrate
CAS: 16828-11-8 | H12AlO9S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16828-11-8
Molecular Formula:
H12AlO9S
Molecular Mass:
215.14 g/mol
Names and Synonyms:
Aluminum Sulfate Hexadecahydrate
Sulfuric acid, aluminum salt (3:2), hexadecahydrate
Aluminum sulfate hexadecahydrate
Aluminum sesquisulfate hexadecahydrate
Aluminum sulfate (Al2(SO4)3) hydrate (1:16)
Identifiers:
SMILES:
O.O.O.O.O.O=S(=O)(O)O.[Al]
InChI:
InChI=1S/Al.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.14 g/mol | CAS Common Chemistry |
| 215.136 g/mol | RDKit | |
| 215.00174159399998 g/mol | RDKit | |
| Canonical SMILES | [Al].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IFVOQEJWSNTFNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum sulfate hexadecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 232.09999999999997 Ų | RDKit |
| LogP | -5.157099999999997 | RDKit |
| Molar Refractivity | 38.0004 | RDKit |
