(2Z)-2-Octyl-2-pentenedioic acid
7570
Reference
(2Z)-2-Octyl-2-pentenedioic acid Structure
Systematic / IUPAC Name: (2Z)-2-Octyl-2-pentenedioic acid
ID: Reference7570
Other Names: 2-Pentenedioic acid, 2-octyl-, (2Z)-
Formula: C13H22O4
Spectral Data
(2Z)-2-Octyl-2-pentenedioic 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 | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 226 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/19/2018 7:00:18 AM |
Identificators
| InChI | InChI=1S/C13H22O4/c1-2-3-4-5-6-7-8-11(13(16)17)9-10-12(14)15/h9H,2-8,10H2,1H3,(H,14,15)(H,16,17)/b11-9- |
| InChI Key | NIXDINZDFZJZHG-LUAWRHEFSA-N |
| Canonical SMILES | CCCCCCCCC(=CCC(=O)O)C(=O)O |
| CAS | |
| Splash | |
| Other Names | 2-Pentenedioic acid, 2-octyl-, (2Z)- |