3-Butene-1,2,3-tricarboxylic acid
8545
Reference
3-Butene-1,2,3-tricarboxylic acid Structure
Systematic / IUPAC Name: But-3-ene-1,2,3-tricarboxylic acid
ID: Reference8545
Other Names:
3-(Carboxymethyl)-2-methylene pentanedioic acid;
1-Butene-2,3,4-tricarboxylic acid;
1-Methylidenepropane-1,2,3-tricarboxylic acid
Formula: C7H8O6
Spectral Data
3-Butene-1,2,3-tricarboxylic 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 | 56 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/27/2019 12:00:28 PM |
Identificators
| InChI | InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h4H,1-2H2,(H,8,9)(H,10,11)(H,12,13) |
| InChI Key | WOZHZOLFFPSEAM-UHFFFAOYSA-N |
| Canonical SMILES | C=C(C(CC(=O)O)C(=O)O)C(=O)O |
| CAS | 26326056 |
| Splash | |
| Other Names |
3-(Carboxymethyl)-2-methylene pentanedioic acid; 1-Butene-2,3,4-tricarboxylic acid; 1-Methylidenepropane-1,2,3-tricarboxylic acid |