1-(1-isoquinolyl)-2-methylpropyl benzoate
6779
Reference
1-(1-isoquinolyl)-2-methylpropyl benzoate Structure
Systematic / IUPAC Name: 1-(1-Isoquinolinyl)-2-methylpropyl benzoate
ID: Reference6779
Other Names:
Formula: C20H19NO2
Spectral Data
1-(1-isoquinolyl)-2-methylpropyl benzoate 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 | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 9/5/2017 8:13:49 AM |
Identificators
| InChI | InChI=1S/C20H19NO2/c1-14(2)19(23-20(22)16-9-4-3-5-10-16)18-17-11-7-6-8-15(17)12-13-21-18/h3-14,19H,1-2H3 |
| InChI Key | DPPHXDGJFPXPHI-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)C(C1=NC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names |
In Other Databases
| ChEMBL | CHEMBL1332476 |
| ChemSpider | 2103321 |
| PubChem | 2825155 |