{(2R,4S,5R)-5-[3-(2-Furyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl (4-acetylphenyl)carbamate
10540
Reference
{(2R,4S,5R)-5-[3-(2-Furyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl (4-acetylphenyl)carbamate Structure
Systematic / IUPAC Name: [(2R,4S,5R)-5-[5-(Furan-2-yl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-(4-acetylphenyl)carbamate
ID: Reference10540
Other Names: NAT13-331604
Formula: C25H28N4O4
Spectral Data
{(2R,4S,5R)-5-[3-(2-Furyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl (4-acetylphenyl)carbamate 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 | 2 |
| No. of Spectra | 3404 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/11/2021 11:58:19 AM |
Identificators
| InChI | InChI=1S/C25H28N4O4/c1-16(30)17-5-7-19(8-6-17)26-25(31)33-15-20-12-18-9-10-29(20)14-21(18)23-13-22(27-28(23)2)24-4-3-11-32-24/h3-8,11,13,18,20-21H,9-10,12,14-15H2,1-2H3,(H,26,31)/t18-,20+,21-/m0/s1 |
| InChI Key | HMMJBBYGNJQJTF-TYPHKJRUSA-N |
| Canonical SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)OCC2CC3CCN2CC3C4=CC(=NN4C)C5=CC=CO5 |
| CAS | |
| Splash | |
| Other Names | NAT13-331604 |