{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl isopropylcarbamate

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Systematic / IUPAC Name: [(2R,4S,5R)-5-(2-Methyl-5-thiophen-2-ylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-propan-2-ylcarbamate

ID: Reference9060

Other Names: Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331655

Formula: C20H28N4O2S

Spectral Data

{(2R,4S,5R)-5-[1-Methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl isopropylcarbamate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2359
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2019 11:16:53 AM
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Identificators

InChI InChI=1S/C20H28N4O2S/c1-13(2)21-20(25)26-12-15-9-14-6-7-24(15)11-16(14)18-10-17(22-23(18)3)19-5-4-8-27-19/h4-5,8,10,13-16H,6-7,9,11-12H2,1-3H3,(H,21,25)/t14-,15+,16-/m0/s1
InChI Key AJHJWCBMYCWYMZ-XHSDSOJGSA-N
Canonical SMILES CC(C)NC(=O)OCC1CC2CCN1CC2C3=CC(=NN3C)C4=CC=CS4
CAS
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Other Names Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331655

In Other Databases

ChemSpider 21380734
PubChem 40780074