Methylacetylsalicylic acid
2568
Reference
Methylacetylsalicylic acid Structure
Systematic / IUPAC Name: 2-Acetyloxy-3-methylbenzoic acid
ID: Reference2568
Other Names:
2-Acetoxy-m-toluic acid;
Cresopirine ;
3-Methylacetylsalicylic acid;
Benzoic acid, 2-(acetyloxy)-3-methyl-
Formula: C10H10O4
Spectral Data
Methylacetylsalicylic 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 | 182 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/10/2015 7:26:05 AM |
Identificators
| InChI | InChI=1S/C10H10O4/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13) |
| InChI Key | XRBMKGUDDJPAMH-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=CC(=C1OC(=O)C)C(=O)O |
| CAS | 4386394 |
| Splash | |
| Other Names |
2-Acetoxy-m-toluic acid; Cresopirine ; 3-Methylacetylsalicylic acid; Benzoic acid, 2-(acetyloxy)-3-methyl- |
In Other Databases
| ChEMBL | CHEMBL1234172 |
| ChemIDPlus | 004386394 |
| ChemSpider | 70472 |
| PubChem | 78094 |