4-Phenylbutyric acid
3074
Reference
4-Phenylbutyric acid Structure
Systematic / IUPAC Name: 4-Phenylbutanoic acid
ID: Reference3074
Other Names:
4-Phenybutytic acid;
γ-Phenyl-n-butyric acid;
γ-Phenylbutanoate;
γ-Phenylbutanoic acid;
γ-Phenylbutyrate
; more
Formula: C10H12O2
Class: Therapeutics/Prescription Drugs Endogenous Metabolites
Spectral Data
4-Phenylbutyric 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 | 3 |
| No. of Spectra | 254 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 10/5/2015 2:08:31 PM |
Identificators
| InChI | InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) |
| InChI Key | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CCCC(=O)O |
| CAS | 1821121 |
| Splash | |
| Other Names |
4-Phenybutytic acid; γ-Phenyl-n-butyric acid; γ-Phenylbutanoate; γ-Phenylbutanoic acid; γ-Phenylbutyrate; γ-Phenylbutyric acid; 1-Phenylbutyric acid; 4-Phenyl butyric acid; 4-Phenyl-n-butyrate; 4-Phenyl-n-butyric acid; 4-Phenyl-butanoic acid; 4-Phenylbutyrate; Benzenebutanoate; Benzenebutanoic acid; Benzenebutyrate; Benzenebutyric acid; Butyric acid, 4-phenyl- |