4-Propylbenzoic acid
2620
Reference
4-Propylbenzoic acid Structure
Systematic / IUPAC Name: 4-Propylbenzoic acid
ID: Reference2620
Other Names:
p-n-Propyl benzoic acid;
p-Propylbenzoic acid;
4-n-Propylbenzoic acid;
4-Propylbenzoicacid;
Benzoic acid, 4-propyl-
Formula: C10H12O2
Spectral Data
4-Propylbenzoic 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 | 2 |
| No. of Spectra | 208 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 4/22/2015 1:56:16 PM |
Identificators
| InChI | InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12) |
| InChI Key | ATZHGRNFEFVDDJ-UHFFFAOYSA-N |
| Canonical SMILES | CCCC1=CC=C(C=C1)C(=O)O |
| CAS | 2438053 |
| Splash | |
| Other Names |
p-n-Propyl benzoic acid; p-Propylbenzoic acid; 4-n-Propylbenzoic acid; 4-Propylbenzoicacid; Benzoic acid, 4-propyl- |
In Other Databases
| ChemIDPlus | 002438053 |
| PubChem | 137601 |
| ChEMBL | CHEMBL116159 |
| ChemSpider | 121262 |