3,5-Dimethoxybenzoic acid
3305
Reference
3,5-Dimethoxybenzoic acid Structure
Systematic / IUPAC Name: 3,5-Dimethoxybenzoic acid
ID: Reference3305
Other Names:
BR-32874;
Benzoic acid, 3,5-dimethoxy-
Formula: C9H10O4
Class: Endogenous Metabolites
Spectral Data
3,5-Dimethoxybenzoic 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 | 230 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/10/2015 9:32:52 AM |
Identificators
| InChI | InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11) |
| InChI Key | IWPZKOJSYQZABD-UHFFFAOYSA-N |
| Canonical SMILES | COC1=CC(=CC(=C1)C(=O)O)OC |
| CAS | 1132214 |
| Splash | |
| Other Names |
BR-32874; Benzoic acid, 3,5-dimethoxy- |