Isoquinoline
775
Reference
Isoquinoline Structure
Systematic / IUPAC Name: Isoquinoline
ID: Reference775
Other Names:
2-Azanaphthalene;
Benzo[c]pyridine;
Benzo(c)pyridine;
3,4-Benzopyridine;
2-Benzazine
Formula: C9H7N
Class: Industrial Chemicals Endogenous Metabolites
Spectral Data
Isoquinoline 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 | 75 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/9/2015 7:31:29 AM |
Identificators
| InChI | InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H |
| InChI Key | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C2C=NC=CC2=C1 |
| CAS | 119653 |
| Splash | |
| Other Names |
2-Azanaphthalene; Benzo[c]pyridine; Benzo(c)pyridine; 3,4-Benzopyridine; 2-Benzazine; β-Quinoline |
In Other Databases
| HMDb | HMDB34244 |
| ChemSpider | 8098 |
| ChemIDPlus | 000119653 |
| ChEBI | CHEBI:16092 |
| KEGG | C06323 |
| PubChem | 8405 |
| ChEMBL | CHEMBL12315 |
| Wikipedia | Isoquinoline |