APINAC
6887
Reference
APINAC Structure
Systematic / IUPAC Name: 1-Adamantyl 1-pentylindazole-3-carboxylate
ID: Reference6887
Other Names: Adamantan-1-yl 1-pentyl-1H-indazole-3-carboxylate
Formula: C23H30N2O2
Spectral Data
APINAC 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 Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/4/2017 6:46:28 AM |
Identificators
| InChI | InChI=1S/C23H30N2O2/c1-2-3-6-9-25-20-8-5-4-7-19(20)21(24-25)22(26)27-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3 |
| InChI Key | KCCVWUAAHDXNNQ-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCN1C2=CC=CC=C2C(=N1)C(=O)OC34CC5CC(C3)CC(C5)C4 |
| CAS | |
| Splash | |
| Other Names | Adamantan-1-yl 1-pentyl-1H-indazole-3-carboxylate |