3-tert-Butyladipic acid
3328
Reference
3-tert-Butyladipic acid Structure
Systematic / IUPAC Name: 3-(2-Methyl-2-propanyl)hexanedioic acid
ID: Reference3328
Other Names:
β-tert-Butyl-adipic acid;
3-tert-Butylhexanedioic acid
Formula: C10H18O4
Spectral Data
3-tert-Butyladipic 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 | 195 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/11/2015 12:31:35 PM |
Identificators
| InChI | InChI=1S/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14) |
| InChI Key | LHSCNQRBIIDZCB-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)C(CCC(=O)O)CC(=O)O |
| CAS | 10347883 |
| Splash | |
| Other Names |
β-tert-Butyl-adipic acid; 3-tert-Butylhexanedioic acid |